1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine

C17H27FN2O — CID 102967344

IUPAC1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCCC(OC)C1
InChIInChI=1S/C17H27FN2O/c1-13(11-20-10-6-7-14(12-20)21-3)17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,13-14,17,19H,6-7,10-12H2,1-3H3
InChIKeyNLYIKOWAPCTWGW-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine

1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine (PubChem CID 102967344) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
PubChem CID102967344
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCCC(OC)C1
InChIInChI=1S/C17H27FN2O/c1-13(11-20-10-6-7-14(12-20)21-3)17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,13-14,17,19H,6-7,10-12H2,1-3H3
InChIKeyNLYIKOWAPCTWGW-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 115996832
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine (CID 102967344) is 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine is CNC(c1ccccc1F)C(C)CN1CCCC(OC)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is NLYIKOWAPCTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(11-20-10-6-7-14(12-20)21-3)17(19-2)15-8-4-5-9-16(15)18/h4-5,8-9,13-14,17,19H,6-7,10-12H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine?
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 102967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).