tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride

C17H35ClN2O4 — CID 68849642

IUPACtert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride
SMILESCC1(O)CCN(C(=O)OC(C)(C)C)CC1.CC1(O)CCNCC1.Cl
InChIInChI=1S/C11H21NO3.C6H13NO.ClH/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12;1-6(8)2-4-7-5-3-6;/h14H,5-8H2,1-4H3;7-8H,2-5H2,1H3;1H
InChIKeyNAOSGUDZQHOUKN-UHFFFAOYSA-N
MW366.93 g/mol
LogP2.31
Rot. Bonds

About tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride

tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride (PubChem CID 68849642) has the molecular formula C17H35ClN2O4 and a molecular weight of 366.93 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride
PubChem CID68849642
Molecular FormulaC17H35ClN2O4
Molecular Weight366.93 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride
SMILESCC1(O)CCN(C(=O)OC(C)(C)C)CC1.CC1(O)CCNCC1.Cl
InChIInChI=1S/C11H21NO3.C6H13NO.ClH/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12;1-6(8)2-4-7-5-3-6;/h14H,5-8H2,1-4H3;7-8H,2-5H2,1H3;1H
InChIKeyNAOSGUDZQHOUKN-UHFFFAOYSA-N
XLogP2.31
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride?
The IUPAC name of tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride (CID 68849642) is tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride?
The canonical SMILES for tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride is CC1(O)CCN(C(=O)OC(C)(C)C)CC1.CC1(O)CCNCC1.Cl.
What is the InChIKey of tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride?
The InChIKey is NAOSGUDZQHOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C6H13NO.ClH/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12;1-6(8)2-4-7-5-3-6;/h14H,5-8H2,1-4H3;7-8H,2-5H2,1H3;1H.
What are the key properties of tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride?
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 2.31, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 68849642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).