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

C9H18ClNO4 — CID 154577268

IUPACmethyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@]1(OC)CCNC[C@H]1OC.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-12-7-6-10-5-4-9(7,14-3)8(11)13-2;/h7,10H,4-6H2,1-3H3;1H/t7-,9+;/m1./s1
InChIKeyRJNLUGFCEJBZBJ-JXLXBRSFSA-N
MW239.70 g/mol
LogP-0.03
Rot. Bonds3

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

methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride (PubChem CID 154577268) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride
PubChem CID154577268
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Namemethyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@]1(OC)CCNC[C@H]1OC.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-12-7-6-10-5-4-9(7,14-3)8(11)13-2;/h7,10H,4-6H2,1-3H3;1H/t7-,9+;/m1./s1
InChIKeyRJNLUGFCEJBZBJ-JXLXBRSFSA-N
XLogP-0.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
CID 68728052
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
1-(3-methoxy-4-propylpiperidin-4-yl)ethanone
CID 135190078
methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylate
CID 121207594
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114509056
methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
CID 114509064
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
methyl (2S)-2-propan-2-ylpyrrolidine-2-carboxylate;hydrochloride
CID 162342607
methyl 4-ethynylpiperidine-4-carboxylate
CID 167730747

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride (CID 154577268) is methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride is COC(=O)[C@]1(OC)CCNC[C@H]1OC.Cl.
What is the InChIKey of methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride?
The InChIKey is RJNLUGFCEJBZBJ-JXLXBRSFSA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-12-7-6-10-5-4-9(7,14-3)8(11)13-2;/h7,10H,4-6H2,1-3H3;1H/t7-,9+;/m1./s1.
What are the key properties of methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride?
methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 154577268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).