methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride

C7H14ClNO3 — CID 154810489

IUPACmethyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNCC[C@H]1O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyFQGPNIORWLTSFB-RIHPBJNCSA-N
MW195.65 g/mol
LogP-0.45
Rot. Bonds1

About methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride

methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride (PubChem CID 154810489) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
PubChem CID154810489
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNCC[C@H]1O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyFQGPNIORWLTSFB-RIHPBJNCSA-N
XLogP-0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylpiperidine-3-carboxylate
CID 45043143
tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
4-hydroxypiperidine-3-carboxamide
CID 146446982
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
ethane;methyl 3-(methylamino)piperidine-4-carboxylate
CID 91482609
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride (CID 154810489) is methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride is COC(=O)[C@H]1CNCC[C@H]1O.Cl.
What is the InChIKey of methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The InChIKey is FQGPNIORWLTSFB-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride?
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 154810489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).