4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride

C24H34ClNO3 — CID 2854780

IUPAC4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
SMILESCCCCC1(O)CC(c2ccc(OC)cc2)NC(c2ccc(OC)cc2)C1C.Cl
InChIInChI=1S/C24H33NO3.ClH/c1-5-6-15-24(26)16-22(18-7-11-20(27-3)12-8-18)25-23(17(24)2)19-9-13-21(28-4)14-10-19;/h7-14,17,22-23,25-26H,5-6,15-16H2,1-4H3;1H
InChIKeyRNYLEXXBRGTMNF-UHFFFAOYSA-N
MW419.99 g/mol
LogP5.46
Rot. Bonds7

About 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride

4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride (PubChem CID 2854780) has the molecular formula C24H34ClNO3 and a molecular weight of 419.99 g/mol. Its IUPAC name is 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
PubChem CID2854780
Molecular FormulaC24H34ClNO3
Molecular Weight419.99 g/mol
Exact Mass419.22
IUPAC Name4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
SMILESCCCCC1(O)CC(c2ccc(OC)cc2)NC(c2ccc(OC)cc2)C1C.Cl
InChIInChI=1S/C24H33NO3.ClH/c1-5-6-15-24(26)16-22(18-7-11-20(27-3)12-8-18)25-23(17(24)2)19-9-13-21(28-4)14-10-19;/h7-14,17,22-23,25-26H,5-6,15-16H2,1-4H3;1H
InChIKeyRNYLEXXBRGTMNF-UHFFFAOYSA-N
XLogP5.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.99
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
CID 2065827
2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol;hydrochloride
CID 52998404
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol
CID 11877186
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
CID 6587283
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
CID 18597168
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
CID 2870022

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride?
The IUPAC name of 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride (CID 2854780) is 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride is CCCCC1(O)CC(c2ccc(OC)cc2)NC(c2ccc(OC)cc2)C1C.Cl.
What is the InChIKey of 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride?
The InChIKey is RNYLEXXBRGTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3.ClH/c1-5-6-15-24(26)16-22(18-7-11-20(27-3)12-8-18)25-23(17(24)2)19-9-13-21(28-4)14-10-19;/h7-14,17,22-23,25-26H,5-6,15-16H2,1-4H3;1H.
What are the key properties of 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride?
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride has a molecular weight of 419.99 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 2854780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).