methyl 4-piperidin-2-ylbutanoate;hydrochloride

C10H20ClNO2 — CID 66772062

IUPACmethyl 4-piperidin-2-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCC1CCCCN1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)7-4-6-9-5-2-3-8-11-9;/h9,11H,2-8H2,1H3;1H
InChIKeyFNUSPKGUYMLVRN-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds4

About methyl 4-piperidin-2-ylbutanoate;hydrochloride

methyl 4-piperidin-2-ylbutanoate;hydrochloride (PubChem CID 66772062) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 4-piperidin-2-ylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-piperidin-2-ylbutanoate;hydrochloride
PubChem CID66772062
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-piperidin-2-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCC1CCCCN1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)7-4-6-9-5-2-3-8-11-9;/h9,11H,2-8H2,1H3;1H
InChIKeyFNUSPKGUYMLVRN-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl 2-(azocan-2-yl)acetate
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ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(3-pyrrolidin-2-ylpropylsulfanyl)acetate
CID 62478907
methyl 4-piperidin-2-ylbutanoate;methyl 4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]butanoate;hydrochloride
CID 160841994
1-methoxy-4-piperidin-2-ylbutan-2-one
CID 116563611
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
CID 72716377
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-2-ylbutanoate;hydrochloride?
The IUPAC name of methyl 4-piperidin-2-ylbutanoate;hydrochloride (CID 66772062) is methyl 4-piperidin-2-ylbutanoate;hydrochloride.
What is the SMILES notation for methyl 4-piperidin-2-ylbutanoate;hydrochloride?
The canonical SMILES for methyl 4-piperidin-2-ylbutanoate;hydrochloride is COC(=O)CCCC1CCCCN1.Cl.
What is the InChIKey of methyl 4-piperidin-2-ylbutanoate;hydrochloride?
The InChIKey is FNUSPKGUYMLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-13-10(12)7-4-6-9-5-2-3-8-11-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of methyl 4-piperidin-2-ylbutanoate;hydrochloride?
methyl 4-piperidin-2-ylbutanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-2-ylbutanoate;hydrochloride is sourced from PubChem (CID 66772062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).