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

C16H25FN2 — CID 63646067

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1ccc(CNC(C)CN2CCCCC2)cc1F
InChIInChI=1S/C16H25FN2/c1-13-6-7-15(10-16(13)17)11-18-14(2)12-19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyRSYQDKYVQQPHOW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.10
Rot. Bonds5

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

N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 63646067) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID63646067
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1ccc(CNC(C)CN2CCCCC2)cc1F
InChIInChI=1S/C16H25FN2/c1-13-6-7-15(10-16(13)17)11-18-14(2)12-19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyRSYQDKYVQQPHOW-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

N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 115765572
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 63646067) is N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is Cc1ccc(CNC(C)CN2CCCCC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is RSYQDKYVQQPHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-6-7-15(10-16(13)17)11-18-14(2)12-19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-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 N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 63646067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).