3,3-dimethyl-1-pentan-2-ylpiperidine

C12H25N — CID 59678340

IUPAC3,3-dimethyl-1-pentan-2-ylpiperidine
SMILESCCCC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-7-11(2)13-9-6-8-12(3,4)10-13/h11H,5-10H2,1-4H3
InChIKeyNAEDMHDCXQYPJC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About 3,3-dimethyl-1-pentan-2-ylpiperidine

3,3-dimethyl-1-pentan-2-ylpiperidine (PubChem CID 59678340) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-pentan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-pentan-2-ylpiperidine
PubChem CID59678340
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3-dimethyl-1-pentan-2-ylpiperidine
SMILESCCCC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-7-11(2)13-9-6-8-12(3,4)10-13/h11H,5-10H2,1-4H3
InChIKeyNAEDMHDCXQYPJC-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-2-pentan-2-yl-2,9-diazaspiro[5.5]undecane
CID 126759798
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
4-methyl-1-pentan-2-ylazepan-4-ol
CID 107886062
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
CID 64708691
3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol
CID 114357344
9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane
CID 170073816
3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
CID 79408656
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 64702655

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pentan-2-ylpiperidine?
The IUPAC name of 3,3-dimethyl-1-pentan-2-ylpiperidine (CID 59678340) is 3,3-dimethyl-1-pentan-2-ylpiperidine.
What is the SMILES notation for 3,3-dimethyl-1-pentan-2-ylpiperidine?
The canonical SMILES for 3,3-dimethyl-1-pentan-2-ylpiperidine is CCCC(C)N1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-pentan-2-ylpiperidine?
The InChIKey is NAEDMHDCXQYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-11(2)13-9-6-8-12(3,4)10-13/h11H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-pentan-2-ylpiperidine?
3,3-dimethyl-1-pentan-2-ylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pentan-2-ylpiperidine is sourced from PubChem (CID 59678340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).