1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

C185H379N27O2 — CID 162048397

IUPAC1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.2C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C10H21N.C9H20N2.3C9H19N.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;2*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;2*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3
InChIKeyYYFHTAYBRBENAF-UHFFFAOYSA-N
MW3014.25 g/mol
LogP35.73
Rot. Bonds8

About 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 162048397) has the molecular formula C185H379N27O2 and a molecular weight of 3014.25 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
PubChem CID162048397
Molecular FormulaC185H379N27O2
Molecular Weight3014.25 g/mol
Exact Mass3012.04
IUPAC Name1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.2C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C10H21N.C9H20N2.3C9H19N.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;2*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;2*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3
InChIKeyYYFHTAYBRBENAF-UHFFFAOYSA-N
XLogP35.73
TPSA121.39 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds8
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003014.25
LogP ≤ 535.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-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

Related Compounds

1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
CID 158091794
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159452740

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (CID 162048397) is 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is CC(C)(C)N1CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is YYFHTAYBRBENAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.2C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C10H21N.C9H20N2.3C9H19N.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;2*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;2*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 3014.25 g/mol, XLogP of 35.73, 8 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 162048397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).