(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone

C17H22ClFN2O2 — CID 126805764

IUPAC(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(CN2CCC(O)C2)C1
InChIInChI=1S/C17H22ClFN2O2/c18-16-8-13(19)3-4-15(16)17(23)21-6-1-2-12(10-21)9-20-7-5-14(22)11-20/h3-4,8,12,14,22H,1-2,5-7,9-11H2
InChIKeyZIHSSTYWFVPSJT-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.40
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 126805764) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID126805764
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(CN2CCC(O)C2)C1
InChIInChI=1S/C17H22ClFN2O2/c18-16-8-13(19)3-4-15(16)17(23)21-6-1-2-12(10-21)9-20-7-5-14(22)11-20/h3-4,8,12,14,22H,1-2,5-7,9-11H2
InChIKeyZIHSSTYWFVPSJT-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
1-benzothiophen-3-yl-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 166435479
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone (CID 126805764) is (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCCC(CN2CCC(O)C2)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZIHSSTYWFVPSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c18-16-8-13(19)3-4-15(16)17(23)21-6-1-2-12(10-21)9-20-7-5-14(22)11-20/h3-4,8,12,14,22H,1-2,5-7,9-11H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 340.83 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).