1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride

C16H27Cl3N2O — CID 19085401

IUPAC1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)CC1CCN(CCOc2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25ClN2O.2ClH/c1-18(2)13-14-6-8-19(9-7-14)10-11-20-16-5-3-4-15(17)12-16;;/h3-5,12,14H,6-11,13H2,1-2H3;2*1H
InChIKeyZQNXFVOKYQLPHF-UHFFFAOYSA-N
MW369.76 g/mol
LogP3.84
Rot. Bonds6

About 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride

1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 19085401) has the molecular formula C16H27Cl3N2O and a molecular weight of 369.76 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
PubChem CID19085401
Molecular FormulaC16H27Cl3N2O
Molecular Weight369.76 g/mol
Exact Mass368.12
IUPAC Name1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)CC1CCN(CCOc2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25ClN2O.2ClH/c1-18(2)13-14-6-8-19(9-7-14)10-11-20-16-5-3-4-15(17)12-16;;/h3-5,12,14H,6-11,13H2,1-2H3;2*1H
InChIKeyZQNXFVOKYQLPHF-UHFFFAOYSA-N
XLogP3.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052241
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride (CID 19085401) is 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride is CN(C)CC1CCN(CCOc2cccc(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is ZQNXFVOKYQLPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O.2ClH/c1-18(2)13-14-6-8-19(9-7-14)10-11-20-16-5-3-4-15(17)12-16;;/h3-5,12,14H,6-11,13H2,1-2H3;2*1H.
What are the key properties of 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride?
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 369.76 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 19085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).