1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine

C14H20ClFN2 — CID 63848044

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2/c1-10(17)11-4-3-7-18(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11H,3-4,7-9,17H2,1H3
InChIKeyADQKLSVADHUSFK-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine

1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 63848044) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID63848044
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2/c1-10(17)11-4-3-7-18(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11H,3-4,7-9,17H2,1H3
InChIKeyADQKLSVADHUSFK-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64871121

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine (CID 63848044) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is ADQKLSVADHUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(17)11-4-3-7-18(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11H,3-4,7-9,17H2,1H3.
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine?
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63848044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).