1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine

C14H20ClFN2 — CID 120775728

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(F)cc2Cl)CCC1N
InChIInChI=1S/C14H20ClFN2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyMNLIVSLNOZKNSG-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775728) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775728
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(F)cc2Cl)CCC1N
InChIInChI=1S/C14H20ClFN2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyMNLIVSLNOZKNSG-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120775728) is 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2ccc(F)cc2Cl)CCC1N.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is MNLIVSLNOZKNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,5-6,8-9,17H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).