N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine

C23H38N6O — CID 45481891

IUPACN,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine
SMILESCCN(CC)CCCc1cn(CCCN2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C23H38N6O/c1-4-26(5-2)13-8-10-21-20-29(25-24-21)15-9-14-27-16-18-28(19-17-27)22-11-6-7-12-23(22)30-3/h6-7,11-12,20H,4-5,8-10,13-19H2,1-3H3
InChIKeyINHFXGOWFBWHGH-UHFFFAOYSA-N
MW414.60 g/mol
LogP2.77
Rot. Bonds12

About N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine

N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine (PubChem CID 45481891) has the molecular formula C23H38N6O and a molecular weight of 414.60 g/mol. Its IUPAC name is N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine
PubChem CID45481891
Molecular FormulaC23H38N6O
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC NameN,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine
SMILESCCN(CC)CCCc1cn(CCCN2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C23H38N6O/c1-4-26(5-2)13-8-10-21-20-29(25-24-21)15-9-14-27-16-18-28(19-17-27)22-11-6-7-12-23(22)30-3/h6-7,11-12,20H,4-5,8-10,13-19H2,1-3H3
InChIKeyINHFXGOWFBWHGH-UHFFFAOYSA-N
XLogP2.77
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
4-(3-(Benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
CID 133001
1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10090259
tert-butyl 4-[1-(2-methoxyphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44588427
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10042704
1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohexyl}-1H-benzotriazole
CID 10668199
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
1-(2-Methoxyphenyl)-4-[4-(4-pyridin-3-yltriazol-1-yl)butyl]piperazine
CID 72191067

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine (CID 45481891) is N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine is CCN(CC)CCCc1cn(CCCN2CCN(c3ccccc3OC)CC2)nn1.
What is the InChIKey of N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine?
The InChIKey is INHFXGOWFBWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O/c1-4-26(5-2)13-8-10-21-20-29(25-24-21)15-9-14-27-16-18-28(19-17-27)22-11-6-7-12-23(22)30-3/h6-7,11-12,20H,4-5,8-10,13-19H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine?
N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine has a molecular weight of 414.60 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 45481891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).