1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile

C19H23FN2O2 — CID 111434256

IUPAC1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C19H23FN2O2/c20-16-5-3-14(4-6-16)17(23)15-7-11-22(12-8-15)18(24)19(13-21)9-1-2-10-19/h3-6,15,17,23H,1-2,7-12H2
InChIKeyCQDFTOSCSGCKTP-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 111434256) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID111434256
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C19H23FN2O2/c20-16-5-3-14(4-6-16)17(23)15-7-11-22(12-8-15)18(24)19(13-21)9-1-2-10-19/h3-6,15,17,23H,1-2,7-12H2
InChIKeyCQDFTOSCSGCKTP-UHFFFAOYSA-N
XLogP3.18
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125151598
1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 94677382
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 111109463
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124594783
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124594780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 111434256) is 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)CCCC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is CQDFTOSCSGCKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-16-5-3-14(4-6-16)17(23)15-7-11-22(12-8-15)18(24)19(13-21)9-1-2-10-19/h3-6,15,17,23H,1-2,7-12H2.
What are the key properties of 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 330.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 111434256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).