[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H18Cl2F2N2O2 — CID 119488965

IUPAC[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H17ClF2N2O2.ClH/c1-18-10-3-2-6-19(8-10)13(20)11-7-9(15)4-5-12(11)21-14(16)17;/h4-5,7,10,14,18H,2-3,6,8H2,1H3;1H
InChIKeyAGRWDRAKSNBNCW-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.19
Rot. Bonds4

About [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488965) has the molecular formula C14H18Cl2F2N2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488965
Molecular FormulaC14H18Cl2F2N2O2
Molecular Weight355.21 g/mol
Exact Mass354.07
IUPAC Name[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H17ClF2N2O2.ClH/c1-18-10-3-2-6-19(8-10)13(20)11-7-9(15)4-5-12(11)21-14(16)17;/h4-5,7,10,14,18H,2-3,6,8H2,1H3;1H
InChIKeyAGRWDRAKSNBNCW-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 119378235
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488965) is [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1.Cl.
What is the InChIKey of [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is AGRWDRAKSNBNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2.ClH/c1-18-10-3-2-6-19(8-10)13(20)11-7-9(15)4-5-12(11)21-14(16)17;/h4-5,7,10,14,18H,2-3,6,8H2,1H3;1H.
What are the key properties of [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 355.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).