1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine

C16H25FN2 — CID 114829632

IUPAC1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CCCN(C)C1
InChIInChI=1S/C16H25FN2/c1-13(10-15-7-3-4-8-16(15)17)18-11-14-6-5-9-19(2)12-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyJCZPSMJDQAPKMG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine

1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 114829632) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID114829632
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CCCN(C)C1
InChIInChI=1S/C16H25FN2/c1-13(10-15-7-3-4-8-16(15)17)18-11-14-6-5-9-19(2)12-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyJCZPSMJDQAPKMG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 71916218

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine (CID 114829632) is 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine is CC(Cc1ccccc1F)NCC1CCCN(C)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is JCZPSMJDQAPKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(10-15-7-3-4-8-16(15)17)18-11-14-6-5-9-19(2)12-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).