1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine

C14H21ClN2O — CID 119923695

IUPAC1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-13-5-7-17(8-6-13)9-10-18-14-4-2-3-12(15)11-14/h2-4,11,13,16H,5-10H2,1H3
InChIKeyKHBGPHTZEHVOHK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine

1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine (PubChem CID 119923695) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
PubChem CID119923695
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-13-5-7-17(8-6-13)9-10-18-14-4-2-3-12(15)11-14/h2-4,11,13,16H,5-10H2,1H3
InChIKeyKHBGPHTZEHVOHK-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine (CID 119923695) is 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine is CNC1CCN(CCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is KHBGPHTZEHVOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-13-5-7-17(8-6-13)9-10-18-14-4-2-3-12(15)11-14/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine?
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 119923695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).