4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide

C23H29FN2O2 — CID 19992270

IUPAC4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(C(O)(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-25-22(27)8-5-15-26-16-13-20(14-17-26)23(28,18-6-3-2-4-7-18)19-9-11-21(24)12-10-19/h2-4,6-7,9-12,20,28H,5,8,13-17H2,1H3,(H,25,27)
InChIKeyHXPLUZLTLQORNP-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.30
Rot. Bonds7

About 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide

4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide (PubChem CID 19992270) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide
PubChem CID19992270
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(C(O)(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-25-22(27)8-5-15-26-16-13-20(14-17-26)23(28,18-6-3-2-4-7-18)19-9-11-21(24)12-10-19/h2-4,6-7,9-12,20,28H,5,8,13-17H2,1H3,(H,25,27)
InChIKeyHXPLUZLTLQORNP-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azacyclonol
CID 15723
N-[2-[2-[4-[(3S,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-3-methylphenyl]phenyl]ethyl]acetamide
CID 46931735
methyl [4-[(3R)-1-(4-aminobutanoyl)-3-piperidinyl]-4-(3'-ethyl-6-fluoro-2-biphenylyl)-4-hydroxybutyl]carbamate
CID 59620422
4-Piperidinemethanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 15722
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885323
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885324
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885325
((3S,4R,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)methanone
CID 46885326
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885907
methyl (4-(3'-ethyl-6-fluoro-2-biphenylyl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]-3-piperidinyl}butyl)carbamate
CID 59620419
methyl [4-(3'-ethyl-6-fluoro-2-biphenylyl)-4-hydroxy-4-((3R)-1-{4-[(2-hydroxyethyl)amino]butanoyl}-3-piperidinyl)butyl]carbamate
CID 59620457

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide (CID 19992270) is 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide is CNC(=O)CCCN1CCC(C(O)(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide?
The InChIKey is HXPLUZLTLQORNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-25-22(27)8-5-15-26-16-13-20(14-17-26)23(28,18-6-3-2-4-7-18)19-9-11-21(24)12-10-19/h2-4,6-7,9-12,20,28H,5,8,13-17H2,1H3,(H,25,27).
What are the key properties of 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide?
4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide has a molecular weight of 384.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 19992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).