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

C14H18ClFN2O — CID 81461895

IUPAC(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-17-9-10-5-7-18(8-6-10)14(19)11-3-2-4-12(16)13(11)15/h2-4,10,17H,5-9H2,1H3
InChIKeyROCBWRNXWQMVFK-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.55
Rot. Bonds3

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

(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 81461895) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID81461895
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-17-9-10-5-7-18(8-6-10)14(19)11-3-2-4-12(16)13(11)15/h2-4,10,17H,5-9H2,1H3
InChIKeyROCBWRNXWQMVFK-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-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
(2-chloro-3-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650488
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680247
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 81461895) is (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cccc(F)c2Cl)CC1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ROCBWRNXWQMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-17-9-10-5-7-18(8-6-10)14(19)11-3-2-4-12(16)13(11)15/h2-4,10,17H,5-9H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(2-chloro-3-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-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 81461895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).