N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine

C16H25FN2 — CID 62593449

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-13(2)18-11-14-7-9-19(10-8-14)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyQOLJKZAGVHZKLK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62593449) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID62593449
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-13(2)18-11-14-7-9-19(10-8-14)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyQOLJKZAGVHZKLK-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593627
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine (CID 62593449) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is QOLJKZAGVHZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)18-11-14-7-9-19(10-8-14)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62593449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).