1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine

C16H25FN2 — CID 43307907

IUPAC1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN1CCCC(C(C)NCc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-19-10-4-5-15(12-19)13(2)18-11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,3-5,10-12H2,1-2H3
InChIKeyNKFCUFXFNYYQAC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 43307907) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID43307907
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN1CCCC(C(C)NCc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-19-10-4-5-15(12-19)13(2)18-11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,3-5,10-12H2,1-2H3
InChIKeyNKFCUFXFNYYQAC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908
1-(1-ethylpiperidin-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875393
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine
CID 65246481
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 43307907) is 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine is CCN1CCCC(C(C)NCc2ccc(F)cc2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is NKFCUFXFNYYQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19-10-4-5-15(12-19)13(2)18-11-14-6-8-16(17)9-7-14/h6-9,13,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43307907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).