methyl 4-propylpiperidine-4-carboxylate;hydrochloride

C10H20ClNO2 — CID 75531060

IUPACmethyl 4-propylpiperidine-4-carboxylate;hydrochloride
SMILESCCCC1(C(=O)OC)CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-4-10(9(12)13-2)5-7-11-8-6-10;/h11H,3-8H2,1-2H3;1H
InChIKeyAPXQMYLFQFKHKX-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds3

About methyl 4-propylpiperidine-4-carboxylate;hydrochloride

methyl 4-propylpiperidine-4-carboxylate;hydrochloride (PubChem CID 75531060) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 4-propylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-propylpiperidine-4-carboxylate;hydrochloride
PubChem CID75531060
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-propylpiperidine-4-carboxylate;hydrochloride
SMILESCCCC1(C(=O)OC)CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-4-10(9(12)13-2)5-7-11-8-6-10;/h11H,3-8H2,1-2H3;1H
InChIKeyAPXQMYLFQFKHKX-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Ethyl 2-(piperidin-3-yl)acetate
CID 2760464
ethyl 2-[(3R)-piperidin-3-yl]acetate
CID 7161133
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Methyl 2,6-dimethylpiperidine-4-carboxylate
CID 23553380
Ethyl 2-(piperidin-3-yl)acetate hydrochloride
CID 44118456
methyl 2-((3R)-piperidin-3-yl)acetate hydrochloride
CID 45073967
Methyl 3-(piperidin-4-yl)propanoate hydrochloride
CID 49761244
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Methyl 2-methyl-2-(piperidin-4-yl)propanoate hydrochloride
CID 57421202

Frequently Asked Questions

What is the IUPAC name of methyl 4-propylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-propylpiperidine-4-carboxylate;hydrochloride (CID 75531060) is methyl 4-propylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-propylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-propylpiperidine-4-carboxylate;hydrochloride is CCCC1(C(=O)OC)CCNCC1.Cl.
What is the InChIKey of methyl 4-propylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is APXQMYLFQFKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-4-10(9(12)13-2)5-7-11-8-6-10;/h11H,3-8H2,1-2H3;1H.
What are the key properties of methyl 4-propylpiperidine-4-carboxylate;hydrochloride?
methyl 4-propylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 75531060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).