1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine

C18H29N3 — CID 64925698

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine
SMILESCCN1CCC(CN2CCNC(C)(c3ccccc3)C2)C1
InChIInChI=1S/C18H29N3/c1-3-20-11-9-16(13-20)14-21-12-10-19-18(2,15-21)17-7-5-4-6-8-17/h4-8,16,19H,3,9-15H2,1-2H3
InChIKeySELLJXXBAFUDGE-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine

1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine (PubChem CID 64925698) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine
PubChem CID64925698
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine
SMILESCCN1CCC(CN2CCNC(C)(c3ccccc3)C2)C1
InChIInChI=1S/C18H29N3/c1-3-20-11-9-16(13-20)14-21-12-10-19-18(2,15-21)17-7-5-4-6-8-17/h4-8,16,19H,3,9-15H2,1-2H3
InChIKeySELLJXXBAFUDGE-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
CID 107415536
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110
2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81041042
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
CID 64925313
1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697
3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
CID 64954623
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
CID 64952596
1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
CID 64952228
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
CID 64832086
1-[(4-bromothiophen-2-yl)methyl]-3-methyl-3-phenylpiperazine
CID 64834481

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine (CID 64925698) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine is CCN1CCC(CN2CCNC(C)(c3ccccc3)C2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine?
The InChIKey is SELLJXXBAFUDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-20-11-9-16(13-20)14-21-12-10-19-18(2,15-21)17-7-5-4-6-8-17/h4-8,16,19H,3,9-15H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine?
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine has a molecular weight of 287.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64925698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).