2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate

C19H30N2O2 — CID 171072925

IUPAC2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-15(2)14-23-19(22)21-11-9-20(10-12-21)13-17-5-7-18(8-6-17)16(3)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyVYGLJTZEDQQZEY-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.72
Rot. Bonds5

About 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate

2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate (PubChem CID 171072925) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
PubChem CID171072925
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-15(2)14-23-19(22)21-11-9-20(10-12-21)13-17-5-7-18(8-6-17)16(3)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyVYGLJTZEDQQZEY-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
CID 68835926
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
CID 142773340
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
2-methylpropyl 4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 55361410
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
CID 51177681
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
ethyl 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]amino]propanoate
CID 17174332

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate (CID 171072925) is 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is VYGLJTZEDQQZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)14-23-19(22)21-11-9-20(10-12-21)13-17-5-7-18(8-6-17)16(3)4/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate?
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 171072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).