2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol

C18H28NO+ — CID 15925838

IUPAC2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol
SMILESC[N+]1(C2CCCCC2O)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28NO/c1-19(17-9-5-6-10-18(17)20)13-11-16(12-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-18,20H,5-6,9-14H2,1H3/q+1
InChIKeyWAKPFUAAFAMBSZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.31
Rot. Bonds2

About 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol

2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol (PubChem CID 15925838) has the molecular formula C18H28NO+ and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol
PubChem CID15925838
Molecular FormulaC18H28NO+
Molecular Weight274.43 g/mol
Exact Mass274.22
IUPAC Name2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol
SMILESC[N+]1(C2CCCCC2O)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28NO/c1-19(17-9-5-6-10-18(17)20)13-11-16(12-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-18,20H,5-6,9-14H2,1H3/q+1
InChIKeyWAKPFUAAFAMBSZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol (CID 15925838) is 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol is C[N+]1(C2CCCCC2O)CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol?
The InChIKey is WAKPFUAAFAMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NO/c1-19(17-9-5-6-10-18(17)20)13-11-16(12-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-18,20H,5-6,9-14H2,1H3/q+1.
What are the key properties of 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol?
2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol has a molecular weight of 274.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).