5-(2-benzylpiperidin-1-yl)pentanoic acid

C17H25NO2 — CID 18621474

IUPAC5-(2-benzylpiperidin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c19-17(20)11-5-7-13-18-12-6-4-10-16(18)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H,19,20)
InChIKeyMCHCRPDBIDLVMY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds7

About 5-(2-benzylpiperidin-1-yl)pentanoic acid

5-(2-benzylpiperidin-1-yl)pentanoic acid (PubChem CID 18621474) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-(2-benzylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-benzylpiperidin-1-yl)pentanoic acid
PubChem CID18621474
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-(2-benzylpiperidin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c19-17(20)11-5-7-13-18-12-6-4-10-16(18)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H,19,20)
InChIKeyMCHCRPDBIDLVMY-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine
CID 56999999
4-[(2S)-2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]butanoic acid
CID 42641719
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
2-benzyl-1-[4-[2-(trifluoromethyl)phenoxy]butyl]piperidine;hydrobromide
CID 18621592
3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 32746263
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
4-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
CID 23850341

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 5-(2-benzylpiperidin-1-yl)pentanoic acid (CID 18621474) is 5-(2-benzylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-benzylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-benzylpiperidin-1-yl)pentanoic acid is O=C(O)CCCCN1CCCCC1Cc1ccccc1.
What is the InChIKey of 5-(2-benzylpiperidin-1-yl)pentanoic acid?
The InChIKey is MCHCRPDBIDLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(20)11-5-7-13-18-12-6-4-10-16(18)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H,19,20).
What are the key properties of 5-(2-benzylpiperidin-1-yl)pentanoic acid?
5-(2-benzylpiperidin-1-yl)pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 18621474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).