N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine

C20H34N4O — CID 120848506

IUPACN,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C20H34N4O/c1-22(2)15-16-25-20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-18-7-9-21-10-8-18/h3-6,18,21H,7-17H2,1-2H3
InChIKeyVMSHQTBNYOETMC-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.75
Rot. Bonds7

About N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine

N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine (PubChem CID 120848506) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
PubChem CID120848506
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C20H34N4O/c1-22(2)15-16-25-20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-18-7-9-21-10-8-18/h3-6,18,21H,7-17H2,1-2H3
InChIKeyVMSHQTBNYOETMC-UHFFFAOYSA-N
XLogP1.75
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
CID 114526497
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243
3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 82151025
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
2-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-2-methylpropan-1-one;trihydrochloride
CID 119903277
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
2-[2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]phenoxy]-N,N-dimethylethanamine
CID 120753112
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
(1-aminocyclopropyl)-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903273
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300
1-(2-octoxyphenyl)piperazine
CID 63461603

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine (CID 120848506) is N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine is CN(C)CCOc1ccccc1N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine?
The InChIKey is VMSHQTBNYOETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-22(2)15-16-25-20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-18-7-9-21-10-8-18/h3-6,18,21H,7-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine has a molecular weight of 346.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine is sourced from PubChem (CID 120848506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).