methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate

C17H25NO2 — CID 61034555

IUPACmethyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-20-17(19)14-16-11-5-6-12-18(16)13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3
InChIKeyLMIRZOVULUFSKS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate

methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate (PubChem CID 61034555) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
PubChem CID61034555
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-20-17(19)14-16-11-5-6-12-18(16)13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3
InChIKeyLMIRZOVULUFSKS-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
CID 106708111
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate (CID 61034555) is methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CCCc1ccccc1.
What is the InChIKey of methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate?
The InChIKey is LMIRZOVULUFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-17(19)14-16-11-5-6-12-18(16)13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3.
What are the key properties of methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).