[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine

C16H25FN2 — CID 103440552

IUPAC[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCC(c1cccc(F)c1)N1CCC(C)CC1CN
InChIInChI=1S/C16H25FN2/c1-3-16(13-5-4-6-14(17)10-13)19-8-7-12(2)9-15(19)11-18/h4-6,10,12,15-16H,3,7-9,11,18H2,1-2H3
InChIKeyHMTJBZWQJSTBDT-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine

[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440552) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440552
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCC(c1cccc(F)c1)N1CCC(C)CC1CN
InChIInChI=1S/C16H25FN2/c1-3-16(13-5-4-6-14(17)10-13)19-8-7-12(2)9-15(19)11-18/h4-6,10,12,15-16H,3,7-9,11,18H2,1-2H3
InChIKeyHMTJBZWQJSTBDT-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine (CID 103440552) is [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine is CCC(c1cccc(F)c1)N1CCC(C)CC1CN.
What is the InChIKey of [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is HMTJBZWQJSTBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(13-5-4-6-14(17)10-13)19-8-7-12(2)9-15(19)11-18/h4-6,10,12,15-16H,3,7-9,11,18H2,1-2H3.
What are the key properties of [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine?
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).