N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride

C18H32Cl2N2O — CID 19085451

IUPACN,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCc1ccc(OCCN2CCC(CCN(C)C)CC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-16-4-6-18(7-5-16)21-15-14-20-12-9-17(10-13-20)8-11-19(2)3;;/h4-7,17H,8-15H2,1-3H3;2*1H
InChIKeyXKGDVBGSLPECLS-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.88
Rot. Bonds7

About N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride

N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride (PubChem CID 19085451) has the molecular formula C18H32Cl2N2O and a molecular weight of 363.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
PubChem CID19085451
Molecular FormulaC18H32Cl2N2O
Molecular Weight363.37 g/mol
Exact Mass362.19
IUPAC NameN,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCc1ccc(OCCN2CCC(CCN(C)C)CC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-16-4-6-18(7-5-16)21-15-14-20-12-9-17(10-13-20)8-11-19(2)3;;/h4-7,17H,8-15H2,1-3H3;2*1H
InChIKeyXKGDVBGSLPECLS-UHFFFAOYSA-N
XLogP3.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]isoindole
CID 141042142
4-[(4-methylphenyl)methyl]-1-[2-(4-nitrophenoxy)ethyl]piperidine
CID 23294237
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride (CID 19085451) is N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride is Cc1ccc(OCCN2CCC(CCN(C)C)CC2)cc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride?
The InChIKey is XKGDVBGSLPECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.2ClH/c1-16-4-6-18(7-5-16)21-15-14-20-12-9-17(10-13-20)8-11-19(2)3;;/h4-7,17H,8-15H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride?
N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride has a molecular weight of 363.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 19085451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).