N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride

C17H29ClN2O2 — CID 119933164

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(CCOc1ccccc1OC)C1CCNCC1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-12-19(15-8-10-18-11-9-15)13-14-21-17-7-5-4-6-16(17)20-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H
InChIKeyIPRIDXQYOWASIO-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride

N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride (PubChem CID 119933164) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
PubChem CID119933164
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(CCOc1ccccc1OC)C1CCNCC1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-12-19(15-8-10-18-11-9-15)13-14-21-17-7-5-4-6-16(17)20-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H
InChIKeyIPRIDXQYOWASIO-UHFFFAOYSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
CID 60807508
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705274
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride (CID 119933164) is N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride is CCCN(CCOc1ccccc1OC)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride?
The InChIKey is IPRIDXQYOWASIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-3-12-19(15-8-10-18-11-9-15)13-14-21-17-7-5-4-6-16(17)20-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride?
N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119933164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).