2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C15H23Cl2FN2 — CID 120728172

IUPAC2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1ccc(F)c(Cl)c1)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-11(13-4-5-15(17)14(16)9-13)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H
InChIKeyIMEMJINFIOENIU-UHFFFAOYSA-N
MW321.27 g/mol
LogP4.02
Rot. Bonds4

About 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728172) has the molecular formula C15H23Cl2FN2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728172
Molecular FormulaC15H23Cl2FN2
Molecular Weight321.27 g/mol
Exact Mass320.12
IUPAC Name2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(c1ccc(F)c(Cl)c1)N1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-11(13-4-5-15(17)14(16)9-13)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H
InChIKeyIMEMJINFIOENIU-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915680
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60979360
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728172) is 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is CC(c1ccc(F)c(Cl)c1)N1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is IMEMJINFIOENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2.ClH/c1-11(13-4-5-15(17)14(16)9-13)19-8-2-3-12(10-19)6-7-18;/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3;1H.
What are the key properties of 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 321.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).