1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine

C19H32N2 — CID 64831754

IUPAC1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1Cc1ccc(CC)cc1
InChIInChI=1S/C19H32N2/c1-5-7-18-12-20-19(15(3)4)14-21(18)13-17-10-8-16(6-2)9-11-17/h8-11,15,18-20H,5-7,12-14H2,1-4H3
InChIKeyYLTIYRVJHOBTRC-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds6

About 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine

1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine (PubChem CID 64831754) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
PubChem CID64831754
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1Cc1ccc(CC)cc1
InChIInChI=1S/C19H32N2/c1-5-7-18-12-20-19(15(3)4)14-21(18)13-17-10-8-16(6-2)9-11-17/h8-11,15,18-20H,5-7,12-14H2,1-4H3
InChIKeyYLTIYRVJHOBTRC-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
1-[(5-chloro-2-fluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 103050699
1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 64832139
5-tert-butyl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65489981
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine (CID 64831754) is 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine is CCCC1CNC(C(C)C)CN1Cc1ccc(CC)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The InChIKey is YLTIYRVJHOBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-7-18-12-20-19(15(3)4)14-21(18)13-17-10-8-16(6-2)9-11-17/h8-11,15,18-20H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine is sourced from PubChem (CID 64831754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).