[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride

C14H19ClF2N2O — CID 86777596

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(F)c(F)c2)C1CN.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9-3-2-6-18(13(9)8-17)14(19)10-4-5-11(15)12(16)7-10;/h4-5,7,9,13H,2-3,6,8,17H2,1H3;1H
InChIKeyVTPDSGCGZGKUDE-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.59
Rot. Bonds2

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride (PubChem CID 86777596) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
PubChem CID86777596
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(F)c(F)c2)C1CN.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9-3-2-6-18(13(9)8-17)14(19)10-4-5-11(15)12(16)7-10;/h4-5,7,9,13H,2-3,6,8,17H2,1H3;1H
InChIKeyVTPDSGCGZGKUDE-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597323
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride (CID 86777596) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride is CC1CCCN(C(=O)c2ccc(F)c(F)c2)C1CN.Cl.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride?
The InChIKey is VTPDSGCGZGKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-9-3-2-6-18(13(9)8-17)14(19)10-4-5-11(15)12(16)7-10;/h4-5,7,9,13H,2-3,6,8,17H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 86777596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).