[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone

C16H22F2N2O2 — CID 119469301

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)cc(C)c1OC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-10-7-12(8-11(2)14(10)22-16(17)18)15(21)20-6-4-3-5-13(20)9-19/h7-8,13,16H,3-6,9,19H2,1-2H3
InChIKeyWCBNSCNKDGBECL-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.86
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone

[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone (PubChem CID 119469301) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
PubChem CID119469301
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)cc(C)c1OC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-10-7-12(8-11(2)14(10)22-16(17)18)15(21)20-6-4-3-5-13(20)9-19/h7-8,13,16H,3-6,9,19H2,1-2H3
InChIKeyWCBNSCNKDGBECL-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119437301
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone (CID 119469301) is [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone is Cc1cc(C(=O)N2CCCCC2CN)cc(C)c1OC(F)F.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
The InChIKey is WCBNSCNKDGBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10-7-12(8-11(2)14(10)22-16(17)18)15(21)20-6-4-3-5-13(20)9-19/h7-8,13,16H,3-6,9,19H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone has a molecular weight of 312.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone is sourced from PubChem (CID 119469301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).