methyl 3-(4-benzylpiperidin-1-yl)propanoate

C16H23NO2 — CID 43091070

IUPACmethyl 3-(4-benzylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-19-16(18)9-12-17-10-7-15(8-11-17)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyZWLGNWKYBCLDNP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About methyl 3-(4-benzylpiperidin-1-yl)propanoate

methyl 3-(4-benzylpiperidin-1-yl)propanoate (PubChem CID 43091070) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 3-(4-benzylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-benzylpiperidin-1-yl)propanoate
PubChem CID43091070
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 3-(4-benzylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-19-16(18)9-12-17-10-7-15(8-11-17)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyZWLGNWKYBCLDNP-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
methyl 2-(4-benzylpiperidin-1-yl)sulfonylacetate
CID 22052581
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-benzylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-benzylpiperidin-1-yl)propanoate (CID 43091070) is methyl 3-(4-benzylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-benzylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-benzylpiperidin-1-yl)propanoate is COC(=O)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of methyl 3-(4-benzylpiperidin-1-yl)propanoate?
The InChIKey is ZWLGNWKYBCLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16(18)9-12-17-10-7-15(8-11-17)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of methyl 3-(4-benzylpiperidin-1-yl)propanoate?
methyl 3-(4-benzylpiperidin-1-yl)propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-benzylpiperidin-1-yl)propanoate is sourced from PubChem (CID 43091070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).