3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one

C21H30FNO2 — CID 45178856

IUPAC3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H30FNO2/c22-19-9-6-18(7-10-19)14-21(16-24)12-3-13-23(15-21)20(25)11-8-17-4-1-2-5-17/h6-7,9-10,17,24H,1-5,8,11-16H2
InChIKeyGZBHWOYYSAVULM-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.94
Rot. Bonds6

About 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 45178856) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID45178856
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Name3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H30FNO2/c22-19-9-6-18(7-10-19)14-21(16-24)12-3-13-23(15-21)20(25)11-8-17-4-1-2-5-17/h6-7,9-10,17,24H,1-5,8,11-16H2
InChIKeyGZBHWOYYSAVULM-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methanol
CID 23723355
{3-(2-Methylbenzyl)-1-[(2,3,6-trifluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723988
1-{3-[3-Benzyl-3-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}-2-pyrrolidinone
CID 24790770
[3-(2-Methylbenzyl)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]methanol
CID 23723342
Methyl 4-[3-(2-fluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 23723569
{3-(2,4-Difluorobenzyl)-1-[(3-fluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723237
[1-(Cyclohexylmethyl)-3-(2-fluorobenzyl)-3-piperidinyl]methanol
CID 23723526
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
1-[2-Benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone
CID 91924993
2-[1-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547714
[1-(2-Fluorobenzoyl)-3-(2-fluorobenzyl)-3-piperidinyl]methanol
CID 45176446

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 45178856) is 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GZBHWOYYSAVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c22-19-9-6-18(7-10-19)14-21(16-24)12-3-13-23(15-21)20(25)11-8-17-4-1-2-5-17/h6-7,9-10,17,24H,1-5,8,11-16H2.
What are the key properties of 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 347.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45178856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).