N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine

C17H29N3O — CID 118464703

IUPACN,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
SMILESCc1ccc(OCCN2CCN(CCN(C)C)CC2)cc1
InChIInChI=1S/C17H29N3O/c1-16-4-6-17(7-5-16)21-15-14-20-12-10-19(11-13-20)9-8-18(2)3/h4-7H,8-15H2,1-3H3
InChIKeyZRIUOYWSCSMVQV-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.55
Rot. Bonds7

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

N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine (PubChem CID 118464703) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
PubChem CID118464703
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
SMILESCc1ccc(OCCN2CCN(CCN(C)C)CC2)cc1
InChIInChI=1S/C17H29N3O/c1-16-4-6-17(7-5-16)21-15-14-20-12-10-19(11-13-20)9-8-18(2)3/h4-7H,8-15H2,1-3H3
InChIKeyZRIUOYWSCSMVQV-UHFFFAOYSA-N
XLogP1.55
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 19085451
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine (CID 118464703) is N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine is Cc1ccc(OCCN2CCN(CCN(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine?
The InChIKey is ZRIUOYWSCSMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16-4-6-17(7-5-16)21-15-14-20-12-10-19(11-13-20)9-8-18(2)3/h4-7H,8-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 118464703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).