(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine

C16H24ClFN2 — CID 124863043

IUPAC(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine
SMILESC[C@H]1C[C@H](N(C)CCc2ccc(F)cc2Cl)CCN1C
InChIInChI=1S/C16H24ClFN2/c1-12-10-15(7-9-19(12)2)20(3)8-6-13-4-5-14(18)11-16(13)17/h4-5,11-12,15H,6-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyQHNBXKJCOJBFDQ-SWLSCSKDSA-N
MW298.83 g/mol
LogP3.44
Rot. Bonds4

About (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine

(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine (PubChem CID 124863043) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine
PubChem CID124863043
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine
SMILESC[C@H]1C[C@H](N(C)CCc2ccc(F)cc2Cl)CCN1C
InChIInChI=1S/C16H24ClFN2/c1-12-10-15(7-9-19(12)2)20(3)8-6-13-4-5-14(18)11-16(13)17/h4-5,11-12,15H,6-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyQHNBXKJCOJBFDQ-SWLSCSKDSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027
2-chloro-4-fluoro-1-[2-[methyl(sulfinato)amino]ethyl]benzene
CID 70395698
4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
4-bromo-3-[[[(2S,4R)-1,2-dimethylpiperidin-4-yl]-methylamino]methyl]phenol
CID 97160036
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 142021420
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605
(3S)-3-[(2-chloro-4-fluorophenyl)methyl-propan-2-ylamino]pyrrolidine-1-carboxylic acid
CID 69059840

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine?
The IUPAC name of (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine (CID 124863043) is (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine.
What is the SMILES notation for (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine?
The canonical SMILES for (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine is C[C@H]1C[C@H](N(C)CCc2ccc(F)cc2Cl)CCN1C.
What is the InChIKey of (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine?
The InChIKey is QHNBXKJCOJBFDQ-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-12-10-15(7-9-19(12)2)20(3)8-6-13-4-5-14(18)11-16(13)17/h4-5,11-12,15H,6-10H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine?
(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine has a molecular weight of 298.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 124863043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).