N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine

C16H25FN2 — CID 62593443

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-8-18-12-14-6-9-19(10-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyRMBQHHBVVOIXPH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds6

About N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62593443) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID62593443
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-8-18-12-14-6-9-19(10-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyRMBQHHBVVOIXPH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 115983027
4-fluoro-2-[[4-(propylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 107909140
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
N-[[1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 178118415
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55235310

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine (CID 62593443) is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is RMBQHHBVVOIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-8-18-12-14-6-9-19(10-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62593443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).