[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone

C23H29NO3 — CID 119065409

IUPAC[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone
SMILESCC(C)CC1(CO)CCCN(C(=O)c2ccc(-c3cccc(O)c3)cc2)C1
InChIInChI=1S/C23H29NO3/c1-17(2)14-23(16-25)11-4-12-24(15-23)22(27)19-9-7-18(8-10-19)20-5-3-6-21(26)13-20/h3,5-10,13,17,25-26H,4,11-12,14-16H2,1-2H3
InChIKeyMCPMUPSYAAAMLY-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.32
Rot. Bonds5

About [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone

[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone (PubChem CID 119065409) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone
PubChem CID119065409
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone
SMILESCC(C)CC1(CO)CCCN(C(=O)c2ccc(-c3cccc(O)c3)cc2)C1
InChIInChI=1S/C23H29NO3/c1-17(2)14-23(16-25)11-4-12-24(15-23)22(27)19-9-7-18(8-10-19)20-5-3-6-21(26)13-20/h3,5-10,13,17,25-26H,4,11-12,14-16H2,1-2H3
InChIKeyMCPMUPSYAAAMLY-UHFFFAOYSA-N
XLogP4.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
(3-chloro-4-fluorophenyl)-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 72905035
(3-hydroxy-3-methylpiperidin-1-yl)-[4-[3-(1,2,4-triazol-4-yl)phenyl]phenyl]methanone
CID 122567025
4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]benzonitrile
CID 97128083
4-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]benzonitrile
CID 97128082
3-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]phenyl]benzonitrile
CID 126450683
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56911992
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone (CID 119065409) is [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone is CC(C)CC1(CO)CCCN(C(=O)c2ccc(-c3cccc(O)c3)cc2)C1.
What is the InChIKey of [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone?
The InChIKey is MCPMUPSYAAAMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(2)14-23(16-25)11-4-12-24(15-23)22(27)19-9-7-18(8-10-19)20-5-3-6-21(26)13-20/h3,5-10,13,17,25-26H,4,11-12,14-16H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone?
[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone has a molecular weight of 367.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-[4-(3-hydroxyphenyl)phenyl]methanone is sourced from PubChem (CID 119065409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).