4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

C16H32N2 — CID 20664176

IUPAC4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CN(C(C)C)CC1CN1CCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)18-10-14(3)15(12-18)11-17-8-6-16(4,5)7-9-17/h13-15H,6-12H2,1-5H3
InChIKeyPJHDTYXQNCKBGO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.08
Rot. Bonds3

About 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 20664176) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
PubChem CID20664176
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CN(C(C)C)CC1CN1CCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)18-10-14(3)15(12-18)11-17-8-6-16(4,5)7-9-17/h13-15H,6-12H2,1-5H3
InChIKeyPJHDTYXQNCKBGO-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-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 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (CID 20664176) is 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is CC1CN(C(C)C)CC1CN1CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is PJHDTYXQNCKBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)18-10-14(3)15(12-18)11-17-8-6-16(4,5)7-9-17/h13-15H,6-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 252.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 20664176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).