3-Pentylpiperidine

C10H21N — CID 53741424

IUPAC3-pentylpiperidine
SMILESCCCCCC1CCCNC1
InChIInChI=1S/C10H21N/c1-2-3-4-6-10-7-5-8-11-9-10/h10-11H,2-9H2,1H3
InChIKeyQBCAFUFJMCKKAM-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.10
Rot. Bonds4

About 3-Pentylpiperidine

3-Pentylpiperidine (PubChem CID 53741424) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-pentylpiperidine.

Molecular Properties

Compound Name3-Pentylpiperidine
PubChem CID53741424
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-pentylpiperidine
SMILESCCCCCC1CCCNC1
InChIInChI=1S/C10H21N/c1-2-3-4-6-10-7-5-8-11-9-10/h10-11H,2-9H2,1H3
InChIKeyQBCAFUFJMCKKAM-UHFFFAOYSA-N
XLogP3.10
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
1,3-Bis(4-piperidinyl)propane
CID 85631
4-Propylpiperidine
CID 31169
3-Ethylpiperidine
CID 202966
(2-Cyclohexylethyl)(methyl)amine
CID 43930
4-(Cyclohexylmethyl)piperidine
CID 98883
3-Azaspiro(5.5)undecane hydrochloride
CID 417412
3-Cyclohexylpiperidine
CID 3809353
Piperidine, 4-(1-methylethyl)-
CID 140569
3-(Propan-2-yl)piperidine
CID 541786
2,4,6-Trimethylpiperidine
CID 89562
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250

Frequently Asked Questions

What is the IUPAC name of 3-Pentylpiperidine?
The IUPAC name of 3-Pentylpiperidine (CID 53741424) is 3-pentylpiperidine.
What is the SMILES notation for 3-Pentylpiperidine?
The canonical SMILES for 3-Pentylpiperidine is CCCCCC1CCCNC1.
What is the InChIKey of 3-Pentylpiperidine?
The InChIKey is QBCAFUFJMCKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-4-6-10-7-5-8-11-9-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-Pentylpiperidine?
3-Pentylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Pentylpiperidine is sourced from PubChem (CID 53741424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).