1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine

C18H30N2 — CID 167264369

IUPAC1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-17-6-8-18(9-7-17)15-20-12-10-19(11-13-20)14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyWFWGVVMHIJAMJE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine

1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine (PubChem CID 167264369) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
PubChem CID167264369
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-17-6-8-18(9-7-17)15-20-12-10-19(11-13-20)14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyWFWGVVMHIJAMJE-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
CID 163258700
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 53239823
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine (CID 167264369) is 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine is CCCc1ccc(CN2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine?
The InChIKey is WFWGVVMHIJAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-17-6-8-18(9-7-17)15-20-12-10-19(11-13-20)14-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine?
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine is sourced from PubChem (CID 167264369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).