[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

C14H21ClF2N2 — CID 119925929

IUPAC[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2cc(F)ccc2F)C1CN.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-7-12(15)4-5-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H
InChIKeyVIJNRRBDCBLTRA-UHFFFAOYSA-N
MW290.78 g/mol
LogP2.95
Rot. Bonds3

About [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119925929) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119925929
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC Name[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2cc(F)ccc2F)C1CN.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-7-12(15)4-5-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H
InChIKeyVIJNRRBDCBLTRA-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 120841141
2-[[2-(aminomethyl)-3-methylpiperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 64765757
[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119926209
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
(3R,8aR)-2-[(2,5-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603779
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 119925929) is [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2cc(F)ccc2F)C1CN.Cl.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is VIJNRRBDCBLTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-7-12(15)4-5-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119925929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).