1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C14H21ClF2N2 — CID 120775152

IUPAC1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(F)ccc2F)CCC1N.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyZBXRCULQFCDBFN-UHFFFAOYSA-N
MW290.78 g/mol
LogP2.95
Rot. Bonds2

About 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120775152) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120775152
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(F)ccc2F)CCC1N.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyZBXRCULQFCDBFN-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781919
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120775152) is 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2cc(F)ccc2F)CCC1N.Cl.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is ZBXRCULQFCDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 2.95, 2 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]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120775152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).