ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride

C9H18ClNO2 — CID 91828144

IUPACethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)[C@]1(C)CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyIPAHPPZMOMRABY-SBSPUUFOSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds2

About ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride

ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride (PubChem CID 91828144) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
PubChem CID91828144
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)[C@]1(C)CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyIPAHPPZMOMRABY-SBSPUUFOSA-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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Related Compounds

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methyl (3S)-3-methylpiperidine-3-carboxylate
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ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
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2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
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CID 142438427
1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
CID 103489080
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172
3-methylpiperidine-3-carbohydrazide
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ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride (CID 91828144) is ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride is CCOC(=O)[C@]1(C)CCCNC1.Cl.
What is the InChIKey of ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is IPAHPPZMOMRABY-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-12-8(11)9(2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride?
ethyl (3R)-3-methylpiperidine-3-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 (3R)-3-methylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 91828144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).