4-(3-phenylpropyl)piperidine-1-carboxylic acid

C15H21NO2 — CID 67759674

IUPAC4-(3-phenylpropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)16-11-9-14(10-12-16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyOPDHKDQTCMWLFM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds4

About 4-(3-phenylpropyl)piperidine-1-carboxylic acid

4-(3-phenylpropyl)piperidine-1-carboxylic acid (PubChem CID 67759674) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3-phenylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylpropyl)piperidine-1-carboxylic acid
PubChem CID67759674
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(3-phenylpropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)16-11-9-14(10-12-16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyOPDHKDQTCMWLFM-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
6-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]hexan-1-one
CID 70078879
7-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]heptan-1-one
CID 70078088
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
CID 68612024
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040
1-[(3S,6R)-3-amino-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]azepan-1-yl]ethanone;hydrochloride
CID 166600050
4-cyclopropylbutylbenzene
CID 10261592
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-phenylpropyl)piperidine-1-carboxylic acid (CID 67759674) is 4-(3-phenylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-phenylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-phenylpropyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylpropyl)piperidine-1-carboxylic acid?
The InChIKey is OPDHKDQTCMWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)16-11-9-14(10-12-16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18).
What are the key properties of 4-(3-phenylpropyl)piperidine-1-carboxylic acid?
4-(3-phenylpropyl)piperidine-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67759674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).