3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one

C24H31NO3 — CID 142479971

IUPAC3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCO)N1CCC(Cc2ccc(-c3ccc(CCCO)cc3)cc2)CC1
InChIInChI=1S/C24H31NO3/c26-16-1-2-19-3-7-22(8-4-19)23-9-5-20(6-10-23)18-21-11-14-25(15-12-21)24(28)13-17-27/h3-10,21,26-27H,1-2,11-18H2
InChIKeyXRHWCIJRVJCKKK-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.44
Rot. Bonds8

About 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one

3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 142479971) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one
PubChem CID142479971
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCO)N1CCC(Cc2ccc(-c3ccc(CCCO)cc3)cc2)CC1
InChIInChI=1S/C24H31NO3/c26-16-1-2-19-3-7-22(8-4-19)23-9-5-20(6-10-23)18-21-11-14-25(15-12-21)24(28)13-17-27/h3-10,21,26-27H,1-2,11-18H2
InChIKeyXRHWCIJRVJCKKK-UHFFFAOYSA-N
XLogP3.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 158136961
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 119645010
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one (CID 142479971) is 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one is O=C(CCO)N1CCC(Cc2ccc(-c3ccc(CCCO)cc3)cc2)CC1.
What is the InChIKey of 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is XRHWCIJRVJCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c26-16-1-2-19-3-7-22(8-4-19)23-9-5-20(6-10-23)18-21-11-14-25(15-12-21)24(28)13-17-27/h3-10,21,26-27H,1-2,11-18H2.
What are the key properties of 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one?
3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 381.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-[[4-[4-(3-hydroxypropyl)phenyl]phenyl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142479971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).