1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine

C16H25FN2 — CID 43566257

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-9-18-16-7-11-19(12-8-16)10-6-14-4-3-5-15(17)13-14/h3-5,13,16,18H,2,6-12H2,1H3
InChIKeyAWLXFRHNYFUMLS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine

1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine (PubChem CID 43566257) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
PubChem CID43566257
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-9-18-16-7-11-19(12-8-16)10-6-14-4-3-5-15(17)13-14/h3-5,13,16,18H,2,6-12H2,1H3
InChIKeyAWLXFRHNYFUMLS-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
methyl 2-[3-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]amino]-4-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 18520651

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine (CID 43566257) is 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine is CCCNC1CCN(CCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is AWLXFRHNYFUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-9-18-16-7-11-19(12-8-16)10-6-14-4-3-5-15(17)13-14/h3-5,13,16,18H,2,6-12H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine?
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 43566257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).