(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone

C13H15ClF2N2O2 — CID 119378235

IUPAC(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C13H15ClF2N2O2/c14-8-3-4-11(20-13(15)16)10(6-8)12(19)18-5-1-2-9(17)7-18/h3-4,6,9,13H,1-2,5,7,17H2
InChIKeyOPMKDKYFXLOEDO-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.50
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone

(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone (PubChem CID 119378235) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
PubChem CID119378235
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC Name(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C13H15ClF2N2O2/c14-8-3-4-11(20-13(15)16)10(6-8)12(19)18-5-1-2-9(17)7-18/h3-4,6,9,13H,1-2,5,7,17H2
InChIKeyOPMKDKYFXLOEDO-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone
CID 124611154
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 120803783
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone (CID 119378235) is (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone is NC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone?
The InChIKey is OPMKDKYFXLOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c14-8-3-4-11(20-13(15)16)10(6-8)12(19)18-5-1-2-9(17)7-18/h3-4,6,9,13H,1-2,5,7,17H2.
What are the key properties of (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone?
(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone has a molecular weight of 304.72 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 119378235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).