3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride

C23H46ClNO2 — CID 3051005

IUPAC3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride
SMILESCCCCCCCCCCCCCC(=O)OCCCN1CCCCC1C.Cl
InChIInChI=1S/C23H45NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-21-16-20-24-19-15-14-17-22(24)2;/h22H,3-21H2,1-2H3;1H
InChIKeyIYVGLMBRRZSJRG-UHFFFAOYSA-N
MW404.08 g/mol
LogP6.92
Rot. Bonds16

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

3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride (PubChem CID 3051005) has the molecular formula C23H46ClNO2 and a molecular weight of 404.08 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride
PubChem CID3051005
Molecular FormulaC23H46ClNO2
Molecular Weight404.08 g/mol
Exact Mass403.32
IUPAC Name3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride
SMILESCCCCCCCCCCCCCC(=O)OCCCN1CCCCC1C.Cl
InChIInChI=1S/C23H45NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-21-16-20-24-19-15-14-17-22(24)2;/h22H,3-21H2,1-2H3;1H
InChIKeyIYVGLMBRRZSJRG-UHFFFAOYSA-N
XLogP6.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.08
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride (CID 3051005) is 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride is CCCCCCCCCCCCCC(=O)OCCCN1CCCCC1C.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride?
The InChIKey is IYVGLMBRRZSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-21-16-20-24-19-15-14-17-22(24)2;/h22H,3-21H2,1-2H3;1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride?
3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride has a molecular weight of 404.08 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propyl tetradecanoate;hydrochloride is sourced from PubChem (CID 3051005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).