methyl 3-piperidin-3-ylpropanoate;hydrochloride

C9H18ClNO2 — CID 47000746

IUPACmethyl 3-piperidin-3-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)5-4-8-3-2-6-10-7-8;/h8,10H,2-7H2,1H3;1H
InChIKeyVGGGAKLPBUNWKF-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds3

About methyl 3-piperidin-3-ylpropanoate;hydrochloride

methyl 3-piperidin-3-ylpropanoate;hydrochloride (PubChem CID 47000746) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 3-piperidin-3-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-piperidin-3-ylpropanoate;hydrochloride
PubChem CID47000746
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 3-piperidin-3-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)5-4-8-3-2-6-10-7-8;/h8,10H,2-7H2,1H3;1H
InChIKeyVGGGAKLPBUNWKF-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
CID 63629231
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
cyclobutyl 3-piperidin-3-ylpropanoate
CID 62217581
(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate
CID 106666080
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-3-ylpropanoate;hydrochloride?
The IUPAC name of methyl 3-piperidin-3-ylpropanoate;hydrochloride (CID 47000746) is methyl 3-piperidin-3-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-piperidin-3-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-piperidin-3-ylpropanoate;hydrochloride is COC(=O)CCC1CCCNC1.Cl.
What is the InChIKey of methyl 3-piperidin-3-ylpropanoate;hydrochloride?
The InChIKey is VGGGAKLPBUNWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-12-9(11)5-4-8-3-2-6-10-7-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of methyl 3-piperidin-3-ylpropanoate;hydrochloride?
methyl 3-piperidin-3-ylpropanoate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-3-ylpropanoate;hydrochloride is sourced from PubChem (CID 47000746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).