1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine

C20H39N3 — CID 177072543

IUPAC1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)(C)N1CCC(CC2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-20(2,3)23-14-8-18(9-15-23)16-17-6-12-22(13-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3
InChIKeyWMSPIWCYAHOHDB-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.35
Rot. Bonds3

About 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine

1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 177072543) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
PubChem CID177072543
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)(C)N1CCC(CC2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-20(2,3)23-14-8-18(9-15-23)16-17-6-12-22(13-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3
InChIKeyWMSPIWCYAHOHDB-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine 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 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine (CID 177072543) is 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine is CC(C)(C)N1CCC(CC2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is WMSPIWCYAHOHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-20(2,3)23-14-8-18(9-15-23)16-17-6-12-22(13-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 321.55 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 177072543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).