1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride

C18H37ClN2 — CID 57402902

IUPAC1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1.Cl
InChIInChI=1S/C18H36N2.ClH/c1-17(2)9-7-13-19(15-17)11-5-6-12-20-14-8-10-18(3,4)16-20;/h5-16H2,1-4H3;1H
InChIKeyZMZRCVSXEDZUMC-UHFFFAOYSA-N
MW316.96 g/mol
LogP4.43
Rot. Bonds5

About 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride

1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride (PubChem CID 57402902) has the molecular formula C18H37ClN2 and a molecular weight of 316.96 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
PubChem CID57402902
Molecular FormulaC18H37ClN2
Molecular Weight316.96 g/mol
Exact Mass316.26
IUPAC Name1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1.Cl
InChIInChI=1S/C18H36N2.ClH/c1-17(2)9-7-13-19(15-17)11-5-6-12-20-14-8-10-18(3,4)16-20;/h5-16H2,1-4H3;1H
InChIKeyZMZRCVSXEDZUMC-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.96
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride 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-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride (CID 57402902) is 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1.Cl.
What is the InChIKey of 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is ZMZRCVSXEDZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.ClH/c1-17(2)9-7-13-19(15-17)11-5-6-12-20-14-8-10-18(3,4)16-20;/h5-16H2,1-4H3;1H.
What are the key properties of 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 316.96 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 57402902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).