1,3-dimethyl-5-pentylpiperidine

C12H25N — CID 145095464

IUPAC1,3-dimethyl-5-pentylpiperidine
SMILESCCCCCC1CC(C)CN(C)C1
InChIInChI=1S/C12H25N/c1-4-5-6-7-12-8-11(2)9-13(3)10-12/h11-12H,4-10H2,1-3H3
InChIKeyPCYIVLHVJKCAQC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds4

About 1,3-dimethyl-5-pentylpiperidine

1,3-dimethyl-5-pentylpiperidine (PubChem CID 145095464) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-pentylpiperidine.

Molecular Properties

Compound Name1,3-dimethyl-5-pentylpiperidine
PubChem CID145095464
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,3-dimethyl-5-pentylpiperidine
SMILESCCCCCC1CC(C)CN(C)C1
InChIInChI=1S/C12H25N/c1-4-5-6-7-12-8-11(2)9-13(3)10-12/h11-12H,4-10H2,1-3H3
InChIKeyPCYIVLHVJKCAQC-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-heptyl-1,2-dimethylpyrrolidine
CID 177227057
1-(1,5-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 123843999
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
methylcyclohexane;1-methyl-3-pentylpiperidine
CID 143571089
2-(1,5-dimethylpiperidin-3-yl)acetonitrile;ethane
CID 177158292
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
(2R,4R)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 131845382
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
3-(2-butyloctyl)-1-methylazetidine
CID 146488333
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pentylpiperidine?
The IUPAC name of 1,3-dimethyl-5-pentylpiperidine (CID 145095464) is 1,3-dimethyl-5-pentylpiperidine.
What is the SMILES notation for 1,3-dimethyl-5-pentylpiperidine?
The canonical SMILES for 1,3-dimethyl-5-pentylpiperidine is CCCCCC1CC(C)CN(C)C1.
What is the InChIKey of 1,3-dimethyl-5-pentylpiperidine?
The InChIKey is PCYIVLHVJKCAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-7-12-8-11(2)9-13(3)10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-pentylpiperidine?
1,3-dimethyl-5-pentylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pentylpiperidine is sourced from PubChem (CID 145095464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).