3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride

C26H38ClNO2 — CID 146052045

IUPAC3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
SMILESCOc1ccc(C(O)(CCC(C)C)C(CN2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C26H37NO2.ClH/c1-21(2)16-17-26(28,23-12-14-24(29-3)15-13-23)25(22-10-6-4-7-11-22)20-27-18-8-5-9-19-27;/h4,6-7,10-15,21,25,28H,5,8-9,16-20H2,1-3H3;1H
InChIKeyCINYIDIRZUHMDD-UHFFFAOYSA-N
MW432.05 g/mol
LogP6.01
Rot. Bonds9

About 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride

3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride (PubChem CID 146052045) has the molecular formula C26H38ClNO2 and a molecular weight of 432.05 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
PubChem CID146052045
Molecular FormulaC26H38ClNO2
Molecular Weight432.05 g/mol
Exact Mass431.26
IUPAC Name3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
SMILESCOc1ccc(C(O)(CCC(C)C)C(CN2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C26H37NO2.ClH/c1-21(2)16-17-26(28,23-12-14-24(29-3)15-13-23)25(22-10-6-4-7-11-22)20-27-18-8-5-9-19-27;/h4,6-7,10-15,21,25,28H,5,8-9,16-20H2,1-3H3;1H
InChIKeyCINYIDIRZUHMDD-UHFFFAOYSA-N
XLogP6.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.05
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
CID 44782432
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride (CID 146052045) is 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride is COc1ccc(C(O)(CCC(C)C)C(CN2CCCCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride?
The InChIKey is CINYIDIRZUHMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2.ClH/c1-21(2)16-17-26(28,23-12-14-24(29-3)15-13-23)25(22-10-6-4-7-11-22)20-27-18-8-5-9-19-27;/h4,6-7,10-15,21,25,28H,5,8-9,16-20H2,1-3H3;1H.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride?
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride has a molecular weight of 432.05 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride is sourced from PubChem (CID 146052045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).