1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine

C13H18ClFN2 — CID 114453810

IUPAC1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H18ClFN2/c1-9-2-13(16)8-17(6-9)7-10-3-11(14)5-12(15)4-10/h3-5,9,13H,2,6-8,16H2,1H3
InChIKeyUPKTVFXCZLKTEO-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.65
Rot. Bonds2

About 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine

1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 114453810) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID114453810
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H18ClFN2/c1-9-2-13(16)8-17(6-9)7-10-3-11(14)5-12(15)4-10/h3-5,9,13H,2,6-8,16H2,1H3
InChIKeyUPKTVFXCZLKTEO-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

1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
1-[(3-bromo-4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83230226
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
CID 114453815
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
CID 79986347
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 79993584
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992666
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 79986953
1-[(6R)-4-[(3-chloro-5-fluorophenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99946229

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine (CID 114453810) is 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(Cc2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is UPKTVFXCZLKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-2-13(16)8-17(6-9)7-10-3-11(14)5-12(15)4-10/h3-5,9,13H,2,6-8,16H2,1H3.
What are the key properties of 1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-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-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 114453810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).