3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol

C24H34N2O2 — CID 141444117

IUPAC3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol
SMILESCCCC(c1ccccc1)N1CCC(O)(c2cccc(O)c2)C(CN(C)C)C1
InChIInChI=1S/C24H34N2O2/c1-4-9-23(19-10-6-5-7-11-19)26-15-14-24(28,21(18-26)17-25(2)3)20-12-8-13-22(27)16-20/h5-8,10-13,16,21,23,27-28H,4,9,14-15,17-18H2,1-3H3
InChIKeySRSWGACVOIPIFB-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.00
Rot. Bonds7

About 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol

3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol (PubChem CID 141444117) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol
PubChem CID141444117
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol
SMILESCCCC(c1ccccc1)N1CCC(O)(c2cccc(O)c2)C(CN(C)C)C1
InChIInChI=1S/C24H34N2O2/c1-4-9-23(19-10-6-5-7-11-19)26-15-14-24(28,21(18-26)17-25(2)3)20-12-8-13-22(27)16-20/h5-8,10-13,16,21,23,27-28H,4,9,14-15,17-18H2,1-3H3
InChIKeySRSWGACVOIPIFB-UHFFFAOYSA-N
XLogP4.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
CID 141444113
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)oxan-4-ol
CID 15050165
2-(3-chlorophenyl)-1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)piperidin-1-yl]ethanone
CID 171344405
(3S,4R)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylic acid
CID 175115772
3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol
CID 150361080
1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
CID 171355912
3-[(1R,2S,4S)-2-[(dimethylamino)methyl]-1-hydroxy-4-phenylmethoxycyclohexyl]phenol
CID 124603005
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 66662522
N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide
CID 162677393
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
CID 72949869
(3R,4R)-3-[(dimethylamino)methyl]-4-phenylthian-4-ol
CID 827331
3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol
CID 174454202

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol (CID 141444117) is 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol is CCCC(c1ccccc1)N1CCC(O)(c2cccc(O)c2)C(CN(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol?
The InChIKey is SRSWGACVOIPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-4-9-23(19-10-6-5-7-11-19)26-15-14-24(28,21(18-26)17-25(2)3)20-12-8-13-22(27)16-20/h5-8,10-13,16,21,23,27-28H,4,9,14-15,17-18H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol?
3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol has a molecular weight of 382.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol is sourced from PubChem (CID 141444117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).