1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine

C16H25FN2 — CID 114345620

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C16H25FN2/c1-3-8-18-16-5-4-9-19(12-16)11-14-6-7-15(17)10-13(14)2/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyNDUNQJBTTXHULI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine

1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 114345620) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID114345620
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C16H25FN2/c1-3-8-18-16-5-4-9-19(12-16)11-14-6-7-15(17)10-13(14)2/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyNDUNQJBTTXHULI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
tert-butyl 3-[2-(4-fluoro-2-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 113254137
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581504
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine (CID 114345620) is 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine is CCCNC1CCCN(Cc2ccc(F)cc2C)C1.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is NDUNQJBTTXHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-8-18-16-5-4-9-19(12-16)11-14-6-7-15(17)10-13(14)2/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine?
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 264.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 114345620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).