1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine

C16H25FN2O — CID 102875898

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-3-8-18-14-6-9-19(10-7-14)12-13-4-5-15(20-2)11-16(13)17/h4-5,11,14,18H,3,6-10,12H2,1-2H3
InChIKeyBWZUIKNQXWJXSO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds6

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine

1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 102875898) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID102875898
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-3-8-18-14-6-9-19(10-7-14)12-13-4-5-15(20-2)11-16(13)17/h4-5,11,14,18H,3,6-10,12H2,1-2H3
InChIKeyBWZUIKNQXWJXSO-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
N-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876940

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine (CID 102875898) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2ccc(OC)cc2F)CC1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is BWZUIKNQXWJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-8-18-14-6-9-19(10-7-14)12-13-4-5-15(20-2)11-16(13)17/h4-5,11,14,18H,3,6-10,12H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 102875898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).