1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine

C14H20ClFN2 — CID 114851225

IUPAC1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-10(17)11-4-6-18(7-5-11)9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3
InChIKeyHBAAXKZYAQSAGP-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 114851225) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID114851225
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-10(17)11-4-6-18(7-5-11)9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3
InChIKeyHBAAXKZYAQSAGP-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-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 44592178
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine (CID 114851225) is 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is HBAAXKZYAQSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(17)11-4-6-18(7-5-11)9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3.
What are the key properties of 1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-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-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 114851225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).