1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine

C15H23FN2 — CID 80555461

IUPAC1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C15H23FN2/c1-12(9-13-4-6-15(16)7-5-13)18-11-14-3-2-8-17-10-14/h4-7,12,14,17-18H,2-3,8-11H2,1H3
InChIKeyXSHTWJSBCLEDMA-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine

1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 80555461) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID80555461
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C15H23FN2/c1-12(9-13-4-6-15(16)7-5-13)18-11-14-3-2-8-17-10-14/h4-7,12,14,17-18H,2-3,8-11H2,1H3
InChIKeyXSHTWJSBCLEDMA-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-2-piperidin-3-ylacetamide
CID 63010220
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
5-methyl-N-(piperidin-3-ylmethyl)hexan-2-amine
CID 80553387
N-(piperidin-3-ylmethyl)pentan-2-amine
CID 80553041
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
1-N,1-N-dimethyl-2-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 82938373
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine (CID 80555461) is 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCC1CCCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is XSHTWJSBCLEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(9-13-4-6-15(16)7-5-13)18-11-14-3-2-8-17-10-14/h4-7,12,14,17-18H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 80555461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).