ethyl 4-methylpiperidine-4-carboxylate;hydrochloride

C9H18ClNO2 — CID 19361804

IUPACethyl 4-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)4-6-10-7-5-9;/h10H,3-7H2,1-2H3;1H
InChIKeyZRVPAABDZYFQFB-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds2

About ethyl 4-methylpiperidine-4-carboxylate;hydrochloride

ethyl 4-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 19361804) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl 4-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID19361804
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl 4-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)4-6-10-7-5-9;/h10H,3-7H2,1-2H3;1H
InChIKeyZRVPAABDZYFQFB-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-methylpiperidine-4-carboxylate;hydrochloride (CID 19361804) is ethyl 4-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-methylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(C)CCNCC1.Cl.
What is the InChIKey of ethyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is ZRVPAABDZYFQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)4-6-10-7-5-9;/h10H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 4-methylpiperidine-4-carboxylate;hydrochloride?
ethyl 4-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 19361804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).