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

C15H23FN2 — CID 114832275

IUPAC1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(C(C)Cc2ccccc2F)C1
InChIInChI=1S/C15H23FN2/c1-12(10-13-6-3-4-8-15(13)16)18-9-5-7-14(11-18)17-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3
InChIKeyDJVUHAJHKWNLMO-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.44
Rot. Bonds4

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

1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine (PubChem CID 114832275) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
PubChem CID114832275
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(C(C)Cc2ccccc2F)C1
InChIInChI=1S/C15H23FN2/c1-12(10-13-6-3-4-8-15(13)16)18-9-5-7-14(11-18)17-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3
InChIKeyDJVUHAJHKWNLMO-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine (CID 114832275) is 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine is CNC1CCCN(C(C)Cc2ccccc2F)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine?
The InChIKey is DJVUHAJHKWNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(10-13-6-3-4-8-15(13)16)18-9-5-7-14(11-18)17-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine?
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine has a molecular weight of 250.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 114832275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).