1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine

C18H29BrN2 — CID 64840562

IUPAC1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cc2)C(CC)(CC)CN1
InChIInChI=1S/C18H29BrN2/c1-4-7-17-13-21(18(5-2,6-3)14-20-17)12-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyMPRXPNBAAUZPAA-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.58
Rot. Bonds6

About 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine

1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine (PubChem CID 64840562) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
PubChem CID64840562
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cc2)C(CC)(CC)CN1
InChIInChI=1S/C18H29BrN2/c1-4-7-17-13-21(18(5-2,6-3)14-20-17)12-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyMPRXPNBAAUZPAA-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
CID 104812451
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
1-[(4-chloro-3-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 107888547
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine (CID 64840562) is 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine is CCCC1CN(Cc2ccc(Br)cc2)C(CC)(CC)CN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine?
The InChIKey is MPRXPNBAAUZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-7-17-13-21(18(5-2,6-3)14-20-17)12-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine?
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine has a molecular weight of 353.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine is sourced from PubChem (CID 64840562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).