3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride

C14H22ClNO3 — CID 3050997

IUPAC3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)c1ccco1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-12-6-2-3-8-15(12)9-5-11-18-14(16)13-7-4-10-17-13;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H
InChIKeyKXLWFNYPHDJYSH-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride

3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride (PubChem CID 3050997) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
PubChem CID3050997
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)c1ccco1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-12-6-2-3-8-15(12)9-5-11-18-14(16)13-7-4-10-17-13;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H
InChIKeyKXLWFNYPHDJYSH-UHFFFAOYSA-N
XLogP3.12
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
CID 3051416
3-(2-methylpiperidin-1-yl)propyl 2-iodobenzoate;hydrochloride
CID 138401149
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate;hydrochloride
CID 138401134
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
3-(2-methylpiperidin-1-yl)propyl 3,6-dimethyl-1-benzofuran-2-carboxylate;hydrochloride
CID 134109001
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620
3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070419
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate;hydrochloride
CID 138401152

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride (CID 3050997) is 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride is CC1CCCCN1CCCOC(=O)c1ccco1.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride?
The InChIKey is KXLWFNYPHDJYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-12-6-2-3-8-15(12)9-5-11-18-14(16)13-7-4-10-17-13;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride?
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 3050997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).