methyl 4-piperidin-4-ylbutanoate;hydrochloride

C10H20ClNO2 — CID 66672062

IUPACmethyl 4-piperidin-4-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)4-2-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H
InChIKeyIZBLMWWIUMKZKQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds4

About methyl 4-piperidin-4-ylbutanoate;hydrochloride

methyl 4-piperidin-4-ylbutanoate;hydrochloride (PubChem CID 66672062) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 4-piperidin-4-ylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-piperidin-4-ylbutanoate;hydrochloride
PubChem CID66672062
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-piperidin-4-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)4-2-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H
InChIKeyIZBLMWWIUMKZKQ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
Ethyl 2-(piperidin-3-yl)acetate
CID 2760464
ethyl 2-[(3R)-piperidin-3-yl]acetate
CID 7161133
Ethyl 2-(piperidin-3-yl)acetate hydrochloride
CID 44118456
methyl 2-((3R)-piperidin-3-yl)acetate hydrochloride
CID 45073967
Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
Methyl 3-(piperidin-4-yl)propanoate hydrochloride
CID 49761244
Tert-butyl 3-(piperidin-4-yl)propanoate
CID 62217044
Ethyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 71756985
Methyl 1-(piperidin-3-yl)cyclopropane-1-carboxylate hydrochloride
CID 121553534

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-4-ylbutanoate;hydrochloride?
The IUPAC name of methyl 4-piperidin-4-ylbutanoate;hydrochloride (CID 66672062) is methyl 4-piperidin-4-ylbutanoate;hydrochloride.
What is the SMILES notation for methyl 4-piperidin-4-ylbutanoate;hydrochloride?
The canonical SMILES for methyl 4-piperidin-4-ylbutanoate;hydrochloride is COC(=O)CCCC1CCNCC1.Cl.
What is the InChIKey of methyl 4-piperidin-4-ylbutanoate;hydrochloride?
The InChIKey is IZBLMWWIUMKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-13-10(12)4-2-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of methyl 4-piperidin-4-ylbutanoate;hydrochloride?
methyl 4-piperidin-4-ylbutanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-4-ylbutanoate;hydrochloride is sourced from PubChem (CID 66672062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).