1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine

C122H255N23O6 — CID 161120948

IUPAC1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(=O)N1CCC(NC(C)C)CC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(C(=O)N(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C)CC1
InChIInChI=1S/C13H27N3.C13H26N2.C12H24N2O.C11H25N3.C11H22N2O.C10H20N2O.C10H22N2.C9H18N2.C9H20N2.C9H19NO.C8H17NO.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-9(2)13-7-5-10(6-8-13)11(14)12(3)4;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;8,10-11H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,5-6H2,1-4H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;;8-,9+;;
InChIKeyUKYAXISTZSSSLH-WSTSIODBSA-N
MW2140.54 g/mol
LogP13.77
Rot. Bonds22

About 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine

1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine (PubChem CID 161120948) has the molecular formula C122H255N23O6 and a molecular weight of 2140.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine
PubChem CID161120948
Molecular FormulaC122H255N23O6
Molecular Weight2140.54 g/mol
Exact Mass2139.04
IUPAC Name1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(=O)N1CCC(NC(C)C)CC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(C(=O)N(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C)CC1
InChIInChI=1S/C13H27N3.C13H26N2.C12H24N2O.C11H25N3.C11H22N2O.C10H20N2O.C10H22N2.C9H18N2.C9H20N2.C9H19NO.C8H17NO.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-9(2)13-7-5-10(6-8-13)11(14)12(3)4;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;8,10-11H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,5-6H2,1-4H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;;8-,9+;;
InChIKeyUKYAXISTZSSSLH-WSTSIODBSA-N
XLogP13.77
TPSA174.16 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.54
LogP ≤ 513.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine (CID 161120948) is 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine is CC(=O)N1CCC(NC(C)C)CC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(C(=O)N(C)C)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C2CCCCC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C)CC1.
What is the InChIKey of 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The InChIKey is UKYAXISTZSSSLH-WSTSIODBSA-N. The full InChI is InChI=1S/C13H27N3.C13H26N2.C12H24N2O.C11H25N3.C11H22N2O.C10H20N2O.C10H22N2.C9H18N2.C9H20N2.C9H19NO.C8H17NO.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-9(2)13-7-5-10(6-8-13)11(14)12(3)4;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;8,10-11H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,5-6H2,1-4H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;;8-,9+;;.
What are the key properties of 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine has a molecular weight of 2140.54 g/mol, XLogP of 13.77, 22 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 161120948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).