1-hexyl-4-(2-methylpropyl)piperidine

C15H31N — CID 157305841

IUPAC1-hexyl-4-(2-methylpropyl)piperidine
SMILESCCCCCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C15H31N/c1-4-5-6-7-10-16-11-8-15(9-12-16)13-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyPBKOJXGWLUPNEQ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds7

About 1-hexyl-4-(2-methylpropyl)piperidine

1-hexyl-4-(2-methylpropyl)piperidine (PubChem CID 157305841) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-hexyl-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-hexyl-4-(2-methylpropyl)piperidine
PubChem CID157305841
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-hexyl-4-(2-methylpropyl)piperidine
SMILESCCCCCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C15H31N/c1-4-5-6-7-10-16-11-8-15(9-12-16)13-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyPBKOJXGWLUPNEQ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
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

1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
4-butyl-1-octylpiperidine
CID 171570418
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(2-methylpropyl)piperidine?
The IUPAC name of 1-hexyl-4-(2-methylpropyl)piperidine (CID 157305841) is 1-hexyl-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-hexyl-4-(2-methylpropyl)piperidine?
The canonical SMILES for 1-hexyl-4-(2-methylpropyl)piperidine is CCCCCCN1CCC(CC(C)C)CC1.
What is the InChIKey of 1-hexyl-4-(2-methylpropyl)piperidine?
The InChIKey is PBKOJXGWLUPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-10-16-11-8-15(9-12-16)13-14(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-hexyl-4-(2-methylpropyl)piperidine?
1-hexyl-4-(2-methylpropyl)piperidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 157305841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).