N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

C17H28N2O — CID 79537589

IUPACN-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCCOc1cccc(CNC(C)CC2CCCCN2)c1
InChIInChI=1S/C17H28N2O/c1-3-20-17-9-6-7-15(12-17)13-19-14(2)11-16-8-4-5-10-18-16/h6-7,9,12,14,16,18-19H,3-5,8,10-11,13H2,1-2H3
InChIKeyYRESKYSAZDUNCM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79537589) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79537589
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCCOc1cccc(CNC(C)CC2CCCCN2)c1
InChIInChI=1S/C17H28N2O/c1-3-20-17-9-6-7-15(12-17)13-19-14(2)11-16-8-4-5-10-18-16/h6-7,9,12,14,16,18-19H,3-5,8,10-11,13H2,1-2H3
InChIKeyYRESKYSAZDUNCM-UHFFFAOYSA-N
XLogP3.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 79560021
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 79537589) is N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is CCOc1cccc(CNC(C)CC2CCCCN2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is YRESKYSAZDUNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-20-17-9-6-7-15(12-17)13-19-14(2)11-16-8-4-5-10-18-16/h6-7,9,12,14,16,18-19H,3-5,8,10-11,13H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79537589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).