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

C14H18ClFN2O — CID 55173736

IUPAC(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-3-2-11(16)8-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyWITNRBCEICNOAL-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.55
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 55173736) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID55173736
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-3-2-11(16)8-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyWITNRBCEICNOAL-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)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
(2-chloro-4-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543750
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
(2,4-dichloro-5-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538592
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
methyl 2-[(3R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982058
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 55173736) is (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is WITNRBCEICNOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-3-2-11(16)8-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(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)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55173736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).