2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine

C17H28N2O — CID 83006521

IUPAC2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
SMILESCCCOc1cccc(CNN2C(C)CCCC2C)c1
InChIInChI=1S/C17H28N2O/c1-4-11-20-17-10-6-9-16(12-17)13-18-19-14(2)7-5-8-15(19)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13H2,1-3H3
InChIKeyNHZFUADCQWYMHR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.74
Rot. Bonds6

About 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine

2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine (PubChem CID 83006521) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
PubChem CID83006521
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
SMILESCCCOc1cccc(CNN2C(C)CCCC2C)c1
InChIInChI=1S/C17H28N2O/c1-4-11-20-17-10-6-9-16(12-17)13-18-19-14(2)7-5-8-15(19)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13H2,1-3H3
InChIKeyNHZFUADCQWYMHR-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021328
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine (CID 83006521) is 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine is CCCOc1cccc(CNN2C(C)CCCC2C)c1.
What is the InChIKey of 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine?
The InChIKey is NHZFUADCQWYMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-20-17-10-6-9-16(12-17)13-18-19-14(2)7-5-8-15(19)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine?
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83006521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).