methyl 4-propan-2-ylpiperazine-1-carboxylate

C9H18N2O2 — CID 59264587

IUPACmethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H18N2O2/c1-8(2)10-4-6-11(7-5-10)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyJUYTXZGRXGNPLY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds1

About methyl 4-propan-2-ylpiperazine-1-carboxylate

methyl 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 59264587) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID59264587
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H18N2O2/c1-8(2)10-4-6-11(7-5-10)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyJUYTXZGRXGNPLY-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
methyl 4-pentadecan-8-ylpiperazine-1-carboxylate
CID 170347075
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049

Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-propan-2-ylpiperazine-1-carboxylate (CID 59264587) is methyl 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-propan-2-ylpiperazine-1-carboxylate is COC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is JUYTXZGRXGNPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)10-4-6-11(7-5-10)9(12)13-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 4-propan-2-ylpiperazine-1-carboxylate?
methyl 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 59264587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).