(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride

C14H19ClF2N2O3 — CID 119376566

IUPAC(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O3.ClH/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-6-4-10(17)5-7-18;/h2-3,8,10,14H,4-7,17H2,1H3;1H
InChIKeyNYIQOVOWAYCOSM-UHFFFAOYSA-N
MW336.77 g/mol
LogP2.28
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride (PubChem CID 119376566) has the molecular formula C14H19ClF2N2O3 and a molecular weight of 336.77 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
PubChem CID119376566
Molecular FormulaC14H19ClF2N2O3
Molecular Weight336.77 g/mol
Exact Mass336.11
IUPAC Name(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccc1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O3.ClH/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-6-4-10(17)5-7-18;/h2-3,8,10,14H,4-7,17H2,1H3;1H
InChIKeyNYIQOVOWAYCOSM-UHFFFAOYSA-N
XLogP2.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
(4-aminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119374691
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
(3S,4S)-1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952594
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826399
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride (CID 119376566) is (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride is COc1cc(C(=O)N2CCC(N)CC2)ccc1OC(F)F.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride?
The InChIKey is NYIQOVOWAYCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3.ClH/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-6-4-10(17)5-7-18;/h2-3,8,10,14H,4-7,17H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride has a molecular weight of 336.77 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride is sourced from PubChem (CID 119376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).