methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride

C10H20ClNO2 — CID 154878796

IUPACmethyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(C(C)C)CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(2)10(9(12)13-3)4-6-11-7-5-10;/h8,11H,4-7H2,1-3H3;1H
InChIKeyHKYOEPMUPHZKCT-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.61
Rot. Bonds2

About methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride

methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride (PubChem CID 154878796) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride
PubChem CID154878796
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(C(C)C)CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(2)10(9(12)13-3)4-6-11-7-5-10;/h8,11H,4-7H2,1-3H3;1H
InChIKeyHKYOEPMUPHZKCT-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride (CID 154878796) is methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride is COC(=O)C1(C(C)C)CCNCC1.Cl.
What is the InChIKey of methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is HKYOEPMUPHZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8(2)10(9(12)13-3)4-6-11-7-5-10;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride?
methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-ylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 154878796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).