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

C16H25FN2 — CID 114832329

IUPAC2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
SMILESCC(Cc1ccccc1F)N1CCCC(CCN)C1
InChIInChI=1S/C16H25FN2/c1-13(11-15-6-2-3-7-16(15)17)19-10-4-5-14(12-19)8-9-18/h2-3,6-7,13-14H,4-5,8-12,18H2,1H3
InChIKeyFOKVZSHAXXHYMB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds5

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

2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine (PubChem CID 114832329) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
PubChem CID114832329
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
SMILESCC(Cc1ccccc1F)N1CCCC(CCN)C1
InChIInChI=1S/C16H25FN2/c1-13(11-15-6-2-3-7-16(15)17)19-10-4-5-14(12-19)8-9-18/h2-3,6-7,13-14H,4-5,8-12,18H2,1H3
InChIKeyFOKVZSHAXXHYMB-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
CID 114832334
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine (CID 114832329) is 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine is CC(Cc1ccccc1F)N1CCCC(CCN)C1.
What is the InChIKey of 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine?
The InChIKey is FOKVZSHAXXHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(11-15-6-2-3-7-16(15)17)19-10-4-5-14(12-19)8-9-18/h2-3,6-7,13-14H,4-5,8-12,18H2,1H3.
What are the key properties of 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine?
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 114832329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).