tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride

C10H21ClN2O2 — CID 24820292

IUPACtert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H
InChIKeySYNMIMWDYFYCCC-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.64
Rot. Bonds

About tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride

tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride (PubChem CID 24820292) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
PubChem CID24820292
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nametert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H
InChIKeySYNMIMWDYFYCCC-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911213
tert-butyl (3R)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911212
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
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tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
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dipotassium;bromomethane;tert-butyl (3S)-4-methanidyl-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;bis(trifluoroborane)
CID 160591688
tert-butyl (3S)-3-ethynylpiperazine-1-carboxylate
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tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
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3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
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tert-butyl (3R)-3-prop-2-enoylpiperazine-1-carboxylate
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tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
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tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
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CID 129303164

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride (CID 24820292) is tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride is CC1CN(C(=O)OC(C)(C)C)CCN1.Cl.
What is the InChIKey of tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is SYNMIMWDYFYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H.
What are the key properties of tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride?
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 24820292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).