1-(cyclobutylmethyl)-4-hexylpiperidine

C16H31N — CID 167565501

IUPAC1-(cyclobutylmethyl)-4-hexylpiperidine
SMILESCCCCCCC1CCN(CC2CCC2)CC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-7-15-10-12-17(13-11-15)14-16-8-6-9-16/h15-16H,2-14H2,1H3
InChIKeySQDSIRMIFXRJFU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds7

About 1-(cyclobutylmethyl)-4-hexylpiperidine

1-(cyclobutylmethyl)-4-hexylpiperidine (PubChem CID 167565501) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-hexylpiperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-hexylpiperidine
PubChem CID167565501
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cyclobutylmethyl)-4-hexylpiperidine
SMILESCCCCCCC1CCN(CC2CCC2)CC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-7-15-10-12-17(13-11-15)14-16-8-6-9-16/h15-16H,2-14H2,1H3
InChIKeySQDSIRMIFXRJFU-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
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-(cyclohexylmethyl)-4-propylazepane
CID 70936958
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
4-butyl-1-octylpiperidine
CID 171570418
1,3-diheptylcyclohexane
CID 19973333
azane;heptylcyclohexane
CID 121434222
2-(4-nonylpiperidin-1-yl)ethanol;hydrochloride
CID 71395103
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-hexylpiperidine?
The IUPAC name of 1-(cyclobutylmethyl)-4-hexylpiperidine (CID 167565501) is 1-(cyclobutylmethyl)-4-hexylpiperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-hexylpiperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-4-hexylpiperidine is CCCCCCC1CCN(CC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-hexylpiperidine?
The InChIKey is SQDSIRMIFXRJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-2-3-4-5-7-15-10-12-17(13-11-15)14-16-8-6-9-16/h15-16H,2-14H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-4-hexylpiperidine?
1-(cyclobutylmethyl)-4-hexylpiperidine has a molecular weight of 237.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-hexylpiperidine is sourced from PubChem (CID 167565501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).