[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate

C17H32N2O3 — CID 91366764

IUPAC[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate
SMILESCC(C)(C)OCC(OC(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)21-13-15(14-7-5-4-6-8-14)22-16(20)19-11-9-18-10-12-19/h14-15,18H,4-13H2,1-3H3
InChIKeyXTYPSAUIFKQSMV-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds4

About [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate

[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate (PubChem CID 91366764) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate
PubChem CID91366764
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate
SMILESCC(C)(C)OCC(OC(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)21-13-15(14-7-5-4-6-8-14)22-16(20)19-11-9-18-10-12-19/h14-15,18H,4-13H2,1-3H3
InChIKeyXTYPSAUIFKQSMV-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methylcyclohexyl) piperazine-1-carboxylate
CID 57248259
Cyclohexylmethyl piperazine-1-carboxylate
CID 69141504
3-Cyclohexylpropyl piperazine-1-carboxylate
CID 140429274
2-Ethyldecyl piperazine-1-carboxylate
CID 175324989
3-Ethylundecyl piperazine-1-carboxylate
CID 175599987
Tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864118
tert-butyl N-[2-cyclohexyl-2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
CID 113936765

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate?
The IUPAC name of [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate (CID 91366764) is [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate.
What is the SMILES notation for [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate?
The canonical SMILES for [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate is CC(C)(C)OCC(OC(=O)N1CCNCC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate?
The InChIKey is XTYPSAUIFKQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)21-13-15(14-7-5-4-6-8-14)22-16(20)19-11-9-18-10-12-19/h14-15,18H,4-13H2,1-3H3.
What are the key properties of [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate?
[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate is sourced from PubChem (CID 91366764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).