1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine

C16H32N2 — CID 80557844

IUPAC1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
SMILESCCCCCC(C)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H32N2/c1-3-4-5-9-14(2)18-13-7-6-11-16(18)15-10-8-12-17-15/h14-17H,3-13H2,1-2H3
InChIKeyBYZSLXRQBXLIHP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds6

About 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine

1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine (PubChem CID 80557844) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
PubChem CID80557844
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
SMILESCCCCCC(C)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H32N2/c1-3-4-5-9-14(2)18-13-7-6-11-16(18)15-10-8-12-17-15/h14-17H,3-13H2,1-2H3
InChIKeyBYZSLXRQBXLIHP-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-heptan-2-yl-2-pyrrolidin-2-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-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
CID 62274223
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 63270961
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256309
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275455

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine (CID 80557844) is 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine is CCCCCC(C)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine?
The InChIKey is BYZSLXRQBXLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-9-14(2)18-13-7-6-11-16(18)15-10-8-12-17-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine?
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 80557844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).