(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone

C13H14Cl2FNO2 — CID 1479964

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CO)CC1
InChIInChI=1S/C13H14Cl2FNO2/c14-10-2-1-9(7-11(10)15)12(19)17-5-3-13(16,8-18)4-6-17/h1-2,7,18H,3-6,8H2
InChIKeyOKRDKUVSYZJNBU-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.93
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 1479964) has the molecular formula C13H14Cl2FNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID1479964
Molecular FormulaC13H14Cl2FNO2
Molecular Weight306.16 g/mol
Exact Mass305.04
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CO)CC1
InChIInChI=1S/C13H14Cl2FNO2/c14-10-2-1-9(7-11(10)15)12(19)17-5-3-13(16,8-18)4-6-17/h1-2,7,18H,3-6,8H2
InChIKeyOKRDKUVSYZJNBU-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 10755891
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
[1-(3,4-dichlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-fluorobenzenesulfonate
CID 2767869
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
2-[[1-(3-chloro-4-methylbenzoyl)-4-fluoropiperidin-4-yl]methyl]isoindole-1,3-dione
CID 10740550
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 1479964) is (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CO)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OKRDKUVSYZJNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO2/c14-10-2-1-9(7-11(10)15)12(19)17-5-3-13(16,8-18)4-6-17/h1-2,7,18H,3-6,8H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 306.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 1479964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).