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

C13H18ClFN2 — CID 79867288

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(F)cc2Cl)CCC1N
InChIInChI=1S/C13H18ClFN2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(15)6-12(10)14/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyPORGJBTTXPHWIC-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.65
Rot. Bonds2

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

1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79867288) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
PubChem CID79867288
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccc(F)cc2Cl)CCC1N
InChIInChI=1S/C13H18ClFN2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(15)6-12(10)14/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyPORGJBTTXPHWIC-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-fluorobenzonitrile
CID 79868700
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
1-[(2-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041991

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine (CID 79867288) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ccc(F)cc2Cl)CCC1N.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is PORGJBTTXPHWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(15)6-12(10)14/h2-3,6,9,13H,4-5,7-8,16H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 256.75 g/mol, XLogP of 2.65, 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-methylpiperidin-4-amine is sourced from PubChem (CID 79867288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).