1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine

C16H26N2 — CID 117368977

IUPAC1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCc1cc(C(C)C)cc(CN2CCNCC2)c1C
InChIInChI=1S/C16H26N2/c1-12(2)15-9-13(3)14(4)16(10-15)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyPMDIKNIPKVMPJH-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine

1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine (PubChem CID 117368977) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
PubChem CID117368977
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCc1cc(C(C)C)cc(CN2CCNCC2)c1C
InChIInChI=1S/C16H26N2/c1-12(2)15-9-13(3)14(4)16(10-15)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyPMDIKNIPKVMPJH-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methyl-5-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82498363
2-chloro-6-(piperazin-1-ylmethyl)-4-propan-2-ylphenol
CID 117425704
2-(difluoromethyl)-6-(piperazin-1-ylmethyl)-4-propan-2-ylphenol
CID 117457896
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
CID 117374507
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine
CID 82552503
1-[[5-methyl-2-(2-methylpropylsulfanyl)phenyl]methyl]piperazine
CID 82265042
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine (CID 117368977) is 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine is Cc1cc(C(C)C)cc(CN2CCNCC2)c1C.
What is the InChIKey of 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is PMDIKNIPKVMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-9-13(3)14(4)16(10-15)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3.
What are the key properties of 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine?
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 117368977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).