N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine

C13H19FN2 — CID 81347749

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-10(11-2-4-12(14)5-3-11)16-13-6-8-15-9-7-13/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1
InChIKeyKLIHGWHMEAEHKN-JTQLQIEISA-N
MW222.31 g/mol
LogP2.23
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 81347749) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID81347749
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2/c1-10(11-2-4-12(14)5-3-11)16-13-6-8-15-9-7-13/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1
InChIKeyKLIHGWHMEAEHKN-JTQLQIEISA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978837
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 81347749) is N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine is C[C@H](NC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is KLIHGWHMEAEHKN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(11-2-4-12(14)5-3-11)16-13-6-8-15-9-7-13/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81347749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).