6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol

C19H32NO+ — CID 3354538

IUPAC6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol
SMILESCC(C)CCC(O)(CC[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3/p+1
InChIKeyFHTWNTKDXPHJFT-UHFFFAOYSA-O
MW290.47 g/mol
LogP2.77
Rot. Bonds7

About 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol

6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol (PubChem CID 3354538) has the molecular formula C19H32NO+ and a molecular weight of 290.47 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol.

Molecular Properties

Compound Name6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol
PubChem CID3354538
Molecular FormulaC19H32NO+
Molecular Weight290.47 g/mol
Exact Mass290.25
IUPAC Name6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol
SMILESCC(C)CCC(O)(CC[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3/p+1
InChIKeyFHTWNTKDXPHJFT-UHFFFAOYSA-O
XLogP2.77
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 45266847
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922
2-hydroxy-5-methyl-2-phenylhexanenitrile
CID 162405988
3-methylbutoxy(phenyl)methanediol
CID 143532405
2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-ylhept-5-yn-3-ol chloride
CID 44657125
(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
CID 2173023
(1S)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
CID 7281173
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
CID 64822024
5-(azepan-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride
CID 44657108
2-phenyl-1-(propan-2-ylamino)pentan-2-ol
CID 62773592
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol?
The IUPAC name of 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol (CID 3354538) is 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol.
What is the SMILES notation for 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol?
The canonical SMILES for 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol is CC(C)CCC(O)(CC[NH+]1CCCCC1)c1ccccc1.
What is the InChIKey of 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol?
The InChIKey is FHTWNTKDXPHJFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31NO/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3/p+1.
What are the key properties of 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol?
6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol has a molecular weight of 290.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol is sourced from PubChem (CID 3354538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).