[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C16H23ClF2N2O4 — CID 119564114

IUPAC[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1.Cl
InChIInChI=1S/C16H22F2N2O4.ClH/c1-19-11-4-6-20(7-5-11)15(21)10-8-12(22-2)14(24-16(17)18)13(9-10)23-3;/h8-9,11,16,19H,4-7H2,1-3H3;1H
InChIKeyABAUNJPIGSYXAG-UHFFFAOYSA-N
MW380.82 g/mol
LogP2.55
Rot. Bonds6

About [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119564114) has the molecular formula C16H23ClF2N2O4 and a molecular weight of 380.82 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119564114
Molecular FormulaC16H23ClF2N2O4
Molecular Weight380.82 g/mol
Exact Mass380.13
IUPAC Name[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1.Cl
InChIInChI=1S/C16H22F2N2O4.ClH/c1-19-11-4-6-20(7-5-11)15(21)10-8-12(22-2)14(24-16(17)18)13(9-10)23-3;/h8-9,11,16,19H,4-7H2,1-3H3;1H
InChIKeyABAUNJPIGSYXAG-UHFFFAOYSA-N
XLogP2.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403962
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546430
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119564114) is [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1.Cl.
What is the InChIKey of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ABAUNJPIGSYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4.ClH/c1-19-11-4-6-20(7-5-11)15(21)10-8-12(22-2)14(24-16(17)18)13(9-10)23-3;/h8-9,11,16,19H,4-7H2,1-3H3;1H.
What are the key properties of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 380.82 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119564114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).