N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine

C26H39N3O3 — CID 152745852

IUPACN,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine
SMILESCCN(CC)N1CCN(C(Cc2ccccc2)Cc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C26H39N3O3/c1-6-28(7-2)29-15-13-27(14-16-29)23(17-21-11-9-8-10-12-21)18-22-19-24(30-3)26(32-5)25(20-22)31-4/h8-12,19-20,23H,6-7,13-18H2,1-5H3
InChIKeyABWVULOAZJWCMT-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.74
Rot. Bonds11

About N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine

N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine (PubChem CID 152745852) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine
PubChem CID152745852
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC NameN,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine
SMILESCCN(CC)N1CCN(C(Cc2ccccc2)Cc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C26H39N3O3/c1-6-28(7-2)29-15-13-27(14-16-29)23(17-21-11-9-8-10-12-21)18-22-19-24(30-3)26(32-5)25(20-22)31-4/h8-12,19-20,23H,6-7,13-18H2,1-5H3
InChIKeyABWVULOAZJWCMT-UHFFFAOYSA-N
XLogP3.74
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[methyl(1-phenylpropan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)ethanol
CID 123599375
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
2-phenyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 75385989
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422
N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067524
(1-carboxy-2-phenylethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium chloride
CID 110180890
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine?
The IUPAC name of N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine (CID 152745852) is N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine.
What is the SMILES notation for N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine?
The canonical SMILES for N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine is CCN(CC)N1CCN(C(Cc2ccccc2)Cc2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine?
The InChIKey is ABWVULOAZJWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-6-28(7-2)29-15-13-27(14-16-29)23(17-21-11-9-8-10-12-21)18-22-19-24(30-3)26(32-5)25(20-22)31-4/h8-12,19-20,23H,6-7,13-18H2,1-5H3.
What are the key properties of N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine?
N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine has a molecular weight of 441.62 g/mol, XLogP of 3.74, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-2-yl]piperazin-1-amine is sourced from PubChem (CID 152745852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).