N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine

C24H36N4O — CID 67668958

IUPACN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine
SMILESCOc1ccc(NN2CCN(CCc3ccccc3)CC2)cc1CCCN(C)C
InChIInChI=1S/C24H36N4O/c1-26(2)14-7-10-22-20-23(11-12-24(22)29-3)25-28-18-16-27(17-19-28)15-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,20,25H,7,10,13-19H2,1-3H3
InChIKeyJCIRIYCLLNTTJS-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.38
Rot. Bonds10

About N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine

N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine (PubChem CID 67668958) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine
PubChem CID67668958
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine
SMILESCOc1ccc(NN2CCN(CCc3ccccc3)CC2)cc1CCCN(C)C
InChIInChI=1S/C24H36N4O/c1-26(2)14-7-10-22-20-23(11-12-24(22)29-3)25-28-18-16-27(17-19-28)15-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,20,25H,7,10,13-19H2,1-3H3
InChIKeyJCIRIYCLLNTTJS-UHFFFAOYSA-N
XLogP3.38
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine?
The IUPAC name of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine (CID 67668958) is N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine.
What is the SMILES notation for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine?
The canonical SMILES for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine is COc1ccc(NN2CCN(CCc3ccccc3)CC2)cc1CCCN(C)C.
What is the InChIKey of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine?
The InChIKey is JCIRIYCLLNTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-26(2)14-7-10-22-20-23(11-12-24(22)29-3)25-28-18-16-27(17-19-28)15-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,20,25H,7,10,13-19H2,1-3H3.
What are the key properties of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine?
N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine has a molecular weight of 396.58 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-(2-phenylethyl)piperazin-1-amine is sourced from PubChem (CID 67668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).