2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C171H351N33O5 — CID 158058706

IUPAC2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1C[C@@H]2C[C@H]1CN2.CC(C)N1C[C@H]2C[C@@H]1CN2C.CC1CN(C(C)C)C(C)CN1.CC1CN(C2CCN(C(C)C)CC2)CC(C)O1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1C[C@H]2C[C@@H]1CN2C(C)C
InChIInChI=1S/C14H28N2O.C13H27N3O.C13H26N2.2C12H24N2O.C12H24N2.C11H22N2.2C10H20N2.2C10H22N2.C9H18N2O.C9H18N2.2C9H20N2.C8H16N2/c1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-4-11-6-10-5-9(11)7-12(10)8(2)3;1-9(2)12-7-5-10(6-8-12)11(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-6-8(3)10-5-9(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)10-5-7-3-8(10)4-9-7/h11-14H,5-10H2,1-4H3;13H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-10H,5-6H2,1-4H3;9H,4-8H2,1-3H3;6-9H,3-5H2,1-2H3/t;;;;;;;;9-,10-;;;;8-,9-;;;7-,8-/m........1...1..0/s1
InChIKeyFKJNSARMGYLWPL-QBDGVITGSA-N
MW2949.91 g/mol
LogP19.50
Rot. Bonds30

About 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158058706) has the molecular formula C171H351N33O5 and a molecular weight of 2949.91 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
PubChem CID158058706
Molecular FormulaC171H351N33O5
Molecular Weight2949.91 g/mol
Exact Mass2947.82
IUPAC Name2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1C[C@@H]2C[C@H]1CN2.CC(C)N1C[C@H]2C[C@@H]1CN2C.CC1CN(C(C)C)C(C)CN1.CC1CN(C2CCN(C(C)C)CC2)CC(C)O1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1C[C@H]2C[C@@H]1CN2C(C)C
InChIInChI=1S/C14H28N2O.C13H27N3O.C13H26N2.2C12H24N2O.C12H24N2.C11H22N2.2C10H20N2.2C10H22N2.C9H18N2O.C9H18N2.2C9H20N2.C8H16N2/c1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-4-11-6-10-5-9(11)7-12(10)8(2)3;1-9(2)12-7-5-10(6-8-12)11(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-6-8(3)10-5-9(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)10-5-7-3-8(10)4-9-7/h11-14H,5-10H2,1-4H3;13H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-10H,5-6H2,1-4H3;9H,4-8H2,1-3H3;6-9H,3-5H2,1-2H3/t;;;;;;;;9-,10-;;;;8-,9-;;;7-,8-/m........1...1..0/s1
InChIKeyFKJNSARMGYLWPL-QBDGVITGSA-N
XLogP19.50
TPSA178.49 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002949.91
LogP ≤ 519.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 158058706) is 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(CC2CCOC2)CC1.CC(C)N1CCN(CCN2CCOCC2)CC1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1C[C@@H]2C[C@H]1CN2.CC(C)N1C[C@H]2C[C@@H]1CN2C.CC1CN(C(C)C)C(C)CN1.CC1CN(C2CCN(C(C)C)CC2)CC(C)O1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1C[C@H]2C[C@@H]1CN2C(C)C.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is FKJNSARMGYLWPL-QBDGVITGSA-N. The full InChI is InChI=1S/C14H28N2O.C13H27N3O.C13H26N2.2C12H24N2O.C12H24N2.C11H22N2.2C10H20N2.2C10H22N2.C9H18N2O.C9H18N2.2C9H20N2.C8H16N2/c1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)14-6-4-13(5-7-14)9-12-3-8-15-10-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-4-11-6-10-5-9(11)7-12(10)8(2)3;1-9(2)12-7-5-10(6-8-12)11(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-6-8(3)10-5-9(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)10-5-7-3-8(10)4-9-7/h11-14H,5-10H2,1-4H3;13H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-10H,5-6H2,1-4H3;9H,4-8H2,1-3H3;6-9H,3-5H2,1-2H3/t;;;;;;;;9-,10-;;;;8-,9-;;;7-,8-/m........1...1..0/s1.
What are the key properties of 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 2949.91 g/mol, XLogP of 19.50, 30 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(1R,4R)-2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-propan-2-ylpiperazine;(1R,4R)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(oxolan-3-ylmethyl)-4-propan-2-ylpiperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 158058706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).