[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone

C23H28FN3O2 — CID 74775038

IUPAC[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1ccccc1F)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-9-5-4-8-18(20)21-19(15-25-26-21)22(29)27-12-10-23(16-28,11-13-27)14-17-6-2-1-3-7-17/h1-9,19,21,25-26,28H,10-16H2
InChIKeyIKTMQMLZCOPXBV-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.43
Rot. Bonds5

About [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone

[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone (PubChem CID 74775038) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone
PubChem CID74775038
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1ccccc1F)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-9-5-4-8-18(20)21-19(15-25-26-21)22(29)27-12-10-23(16-28,11-13-27)14-17-6-2-1-3-7-17/h1-9,19,21,25-26,28H,10-16H2
InChIKeyIKTMQMLZCOPXBV-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone with MolForge

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Related Compounds

3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
[3-(2-fluorophenyl)pyrazolidin-4-yl]-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 134080876
(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
CID 52978390
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
CID 25371442
(4-benzylsulfonylpiperazin-1-yl)-(3-phenylpyrazolidin-4-yl)methanone
CID 52973668
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139012650
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
2-[3-(aminomethyl)cyclobutyl]-1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 166301951
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118310148
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
CID 133108056

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone?
The IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone (CID 74775038) is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone.
What is the SMILES notation for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone?
The canonical SMILES for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone is O=C(C1CNNC1c1ccccc1F)N1CCC(CO)(Cc2ccccc2)CC1.
What is the InChIKey of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone?
The InChIKey is IKTMQMLZCOPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-20-9-5-4-8-18(20)21-19(15-25-26-21)22(29)27-12-10-23(16-28,11-13-27)14-17-6-2-1-3-7-17/h1-9,19,21,25-26,28H,10-16H2.
What are the key properties of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone?
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone has a molecular weight of 397.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone is sourced from PubChem (CID 74775038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).