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

C14H18ClFN2O — CID 61205270

IUPAC(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H18ClFN2O/c1-17-8-10-3-2-6-18(9-10)14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyUCLKRNKHNUKLIV-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.55
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61205270) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID61205270
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H18ClFN2O/c1-17-8-10-3-2-6-18(9-10)14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyUCLKRNKHNUKLIV-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(2-chloro-4-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395857
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
(5-fluoro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206549
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 126805764
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 61205270) is (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is UCLKRNKHNUKLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-17-8-10-3-2-6-18(9-10)14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 284.76 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61205270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).