(3-methylcyclohexyl) piperazine-1-carboxylate

C12H22N2O2 — CID 57248259

IUPAC(3-methylcyclohexyl) piperazine-1-carboxylate
SMILESCC1CCCC(OC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-10-3-2-4-11(9-10)16-12(15)14-7-5-13-6-8-14/h10-11,13H,2-9H2,1H3
InChIKeyYVDCLKADEXKVSU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds1

About (3-methylcyclohexyl) piperazine-1-carboxylate

(3-methylcyclohexyl) piperazine-1-carboxylate (PubChem CID 57248259) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-methylcyclohexyl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) piperazine-1-carboxylate
PubChem CID57248259
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-methylcyclohexyl) piperazine-1-carboxylate
SMILESCC1CCCC(OC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-10-3-2-4-11(9-10)16-12(15)14-7-5-13-6-8-14/h10-11,13H,2-9H2,1H3
InChIKeyYVDCLKADEXKVSU-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(Trifluoromethyl)cyclohexyl] piperazine-1-carboxylate
CID 174973768
[4-(Trifluoromethyl)cyclohexyl]methyl piperazine-1-carboxylate
CID 174976110
Cyclohexyl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate
CID 212465
(3,3-Dimethylcyclohexyl) piperazine-1-carboxylate
CID 22615245
[(1S)-3-methylcyclohexyl] N-ethylcarbamate
CID 68204026
Cyclohexylmethyl piperazine-1-carboxylate
CID 69141504
Cyclohexylmethyl piperazine-1-carboxylate;hydrochloride
CID 69144199
(1-Methylcyclohexyl) piperazine-1-carboxylate
CID 70983227
(3-methylcyclohexyl) N-ethylcarbamate
CID 77424318
Cyclohexyl piperazine-1-carboxylate
CID 87913308
[1-Cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate
CID 91366764
cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate
CID 127541014

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) piperazine-1-carboxylate?
The IUPAC name of (3-methylcyclohexyl) piperazine-1-carboxylate (CID 57248259) is (3-methylcyclohexyl) piperazine-1-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) piperazine-1-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) piperazine-1-carboxylate is CC1CCCC(OC(=O)N2CCNCC2)C1.
What is the InChIKey of (3-methylcyclohexyl) piperazine-1-carboxylate?
The InChIKey is YVDCLKADEXKVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-3-2-4-11(9-10)16-12(15)14-7-5-13-6-8-14/h10-11,13H,2-9H2,1H3.
What are the key properties of (3-methylcyclohexyl) piperazine-1-carboxylate?
(3-methylcyclohexyl) piperazine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) piperazine-1-carboxylate is sourced from PubChem (CID 57248259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).