2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine

C14H20ClFN2 — CID 112652826

IUPAC2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H20ClFN2/c15-14-12(4-1-5-13(14)16)10-18-8-2-3-11(9-18)6-7-17/h1,4-5,11H,2-3,6-10,17H2
InChIKeyANWMNAWOGQTFHS-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds4

About 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine

2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 112652826) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID112652826
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H20ClFN2/c15-14-12(4-1-5-13(14)16)10-18-8-2-3-11(9-18)6-7-17/h1,4-5,11H,2-3,6-10,17H2
InChIKeyANWMNAWOGQTFHS-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
1-[(2-chloro-3-fluorophenyl)methyl]piperidine-3-carbothioamide
CID 112652292
2-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813917
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 117045104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine (CID 112652826) is 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine is NCCC1CCCN(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is ANWMNAWOGQTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c15-14-12(4-1-5-13(14)16)10-18-8-2-3-11(9-18)6-7-17/h1,4-5,11H,2-3,6-10,17H2.
What are the key properties of 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 112652826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).