N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine

C18H30N2O — CID 60807508

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCOc1cc(C)ccc1C)C1CCNCC1
InChIInChI=1S/C18H30N2O/c1-4-11-20(17-7-9-19-10-8-17)12-13-21-18-14-15(2)5-6-16(18)3/h5-6,14,17,19H,4,7-13H2,1-3H3
InChIKeyNKCFSYBTHWDHPW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine

N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine (PubChem CID 60807508) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
PubChem CID60807508
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCOc1cc(C)ccc1C)C1CCNCC1
InChIInChI=1S/C18H30N2O/c1-4-11-20(17-7-9-19-10-8-17)12-13-21-18-14-15(2)5-6-16(18)3/h5-6,14,17,19H,4,7-13H2,1-3H3
InChIKeyNKCFSYBTHWDHPW-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933164
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705274
N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
CID 112801651
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine (CID 60807508) is N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine is CCCN(CCOc1cc(C)ccc1C)C1CCNCC1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is NKCFSYBTHWDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-20(17-7-9-19-10-8-17)12-13-21-18-14-15(2)5-6-16(18)3/h5-6,14,17,19H,4,7-13H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine?
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60807508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).