[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone

C19H27FN2O2 — CID 97196456

IUPAC[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
SMILESCN1CCCCC[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-21-12-4-2-3-5-17(21)18(23)22-13-10-19(24,11-14-22)15-6-8-16(20)9-7-15/h6-9,17,24H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyNGPNFQXAGXPBIW-KRWDZBQOSA-N
MW334.43 g/mol
LogP2.51
Rot. Bonds2

About [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone

[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone (PubChem CID 97196456) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
PubChem CID97196456
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
SMILESCN1CCCCC[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-21-12-4-2-3-5-17(21)18(23)22-13-10-19(24,11-14-22)15-6-8-16(20)9-7-15/h6-9,17,24H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyNGPNFQXAGXPBIW-KRWDZBQOSA-N
XLogP2.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-methylazepan-2-yl)methanone
CID 70769121
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700
1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56887966
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 16580978
1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-yl-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 134126425

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone (CID 97196456) is [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone is CN1CCCCC[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The InChIKey is NGPNFQXAGXPBIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-21-12-4-2-3-5-17(21)18(23)22-13-10-19(24,11-14-22)15-6-8-16(20)9-7-15/h6-9,17,24H,2-5,10-14H2,1H3/t17-/m0/s1.
What are the key properties of [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone has a molecular weight of 334.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone is sourced from PubChem (CID 97196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).