1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine

C16H25FN2 — CID 114872104

IUPAC1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
SMILESCCC(c1cccc(F)c1)N1CCCCC1CNC
InChIInChI=1S/C16H25FN2/c1-3-16(13-7-6-8-14(17)11-13)19-10-5-4-9-15(19)12-18-2/h6-8,11,15-16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXWVVNXJQRYIXFE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds5

About 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 114872104) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID114872104
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
SMILESCCC(c1cccc(F)c1)N1CCCCC1CNC
InChIInChI=1S/C16H25FN2/c1-3-16(13-7-6-8-14(17)11-13)19-10-5-4-9-15(19)12-18-2/h6-8,11,15-16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXWVVNXJQRYIXFE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913
2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
CID 114872128
3-chloro-4-[3-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]propyl]-6-methoxyquinoline
CID 141053505
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine (CID 114872104) is 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine is CCC(c1cccc(F)c1)N1CCCCC1CNC.
What is the InChIKey of 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is XWVVNXJQRYIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(13-7-6-8-14(17)11-13)19-10-5-4-9-15(19)12-18-2/h6-8,11,15-16,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114872104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).