tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate

C15H28N2O2 — CID 167739265

IUPACtert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCNCC2)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)15(7-5-4-6-8-15)17-11-9-16-10-12-17/h16H,4-12H2,1-3H3
InChIKeyPGOBBBSMGLBVPN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate

tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate (PubChem CID 167739265) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
PubChem CID167739265
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCNCC2)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)15(7-5-4-6-8-15)17-11-9-16-10-12-17/h16H,4-12H2,1-3H3
InChIKeyPGOBBBSMGLBVPN-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylate
CID 167715885
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate
CID 68585532
N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 131738593
methyl 4,4-dimethyl-1-piperazin-1-ylcycloheptane-1-carboxylate
CID 65085861
methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
methyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089164
methyl 3-piperazin-1-ylthiane-3-carboxylate
CID 62872957
ethyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089166
ditert-butyl carbonate;piperazine-1-carboxylic acid
CID 161485280
ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate (CID 167739265) is tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(N2CCNCC2)CCCCC1.
What is the InChIKey of tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate?
The InChIKey is PGOBBBSMGLBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)15(7-5-4-6-8-15)17-11-9-16-10-12-17/h16H,4-12H2,1-3H3.
What are the key properties of tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate?
tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 167739265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).