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

C18H28ClNO2 — CID 3051498

IUPAC3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)CCc1ccccc1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-16-8-5-6-13-19(16)14-7-15-21-18(20)12-11-17-9-3-2-4-10-17;/h2-4,9-10,16H,5-8,11-15H2,1H3;1H
InChIKeyDNQBDDFMCDCNHQ-UHFFFAOYSA-N
MW325.88 g/mol
LogP3.85
Rot. Bonds7

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

3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride (PubChem CID 3051498) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
PubChem CID3051498
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)CCc1ccccc1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-16-8-5-6-13-19(16)14-7-15-21-18(20)12-11-17-9-3-2-4-10-17;/h2-4,9-10,16H,5-8,11-15H2,1H3;1H
InChIKeyDNQBDDFMCDCNHQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.85
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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Related Compounds

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CID 138401109
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CID 3050997
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
CID 3051416
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate;hydrochloride
CID 138401134
3-(2-methylpiperidin-1-yl)propyl 2-iodobenzoate;hydrochloride
CID 138401149
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135998
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate;hydrochloride
CID 138401152
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride (CID 3051498) is 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride is CC1CCCCN1CCCOC(=O)CCc1ccccc1.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride?
The InChIKey is DNQBDDFMCDCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-16-8-5-6-13-19(16)14-7-15-21-18(20)12-11-17-9-3-2-4-10-17;/h2-4,9-10,16H,5-8,11-15H2,1H3;1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride?
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 3.85, 7 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 3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 3051498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).