N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine

C16H25FN2O — CID 63902834

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine
SMILESCN(CCCOC1CCNCC1)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-19(13-14-5-2-3-6-16(14)17)11-4-12-20-15-7-9-18-10-8-15/h2-3,5-6,15,18H,4,7-13H2,1H3
InChIKeyCNIHTWLRLRVCTK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.42
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine

N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine (PubChem CID 63902834) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine
PubChem CID63902834
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine
SMILESCN(CCCOC1CCNCC1)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-19(13-14-5-2-3-6-16(14)17)11-4-12-20-15-7-9-18-10-8-15/h2-3,5-6,15,18H,4,7-13H2,1H3
InChIKeyCNIHTWLRLRVCTK-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine
CID 63903014
N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
N,2-dimethyl-N-(3-piperidin-4-yloxypropyl)propan-1-amine
CID 63905483
N-(2-fluorophenyl)-N-methyl-3-piperidin-4-yloxypropanamide
CID 63905455
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
CID 81056642
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine (CID 63902834) is N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine is CN(CCCOC1CCNCC1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The InChIKey is CNIHTWLRLRVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-19(13-14-5-2-3-6-16(14)17)11-4-12-20-15-7-9-18-10-8-15/h2-3,5-6,15,18H,4,7-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine is sourced from PubChem (CID 63902834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).