1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine

C15H29N — CID 167550394

IUPAC1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
SMILESCCC1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16/h13-15H,3-12H2,1-2H3
InChIKeySPLDXSCYSMFPBF-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds3

About 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine

1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine (PubChem CID 167550394) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
PubChem CID167550394
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
SMILESCCC1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16/h13-15H,3-12H2,1-2H3
InChIKeySPLDXSCYSMFPBF-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine (CID 167550394) is 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine is CCC1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine?
The InChIKey is SPLDXSCYSMFPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine?
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 167550394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).