3-phenyl-2-piperidin-1-ylprop-2-enoic acid

C14H17NO2 — CID 141448411

IUPAC3-phenyl-2-piperidin-1-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17)13(15-9-5-2-6-10-15)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17)
InChIKeyMXXRBUYDCIQNRC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.60
Rot. Bonds3

About 3-phenyl-2-piperidin-1-ylprop-2-enoic acid

3-phenyl-2-piperidin-1-ylprop-2-enoic acid (PubChem CID 141448411) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-phenyl-2-piperidin-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-phenyl-2-piperidin-1-ylprop-2-enoic acid
PubChem CID141448411
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-phenyl-2-piperidin-1-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17)13(15-9-5-2-6-10-15)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17)
InChIKeyMXXRBUYDCIQNRC-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-4-(azepan-1-yl)-2-benzylidene-4-oxobutanoic acid
CID 139610719
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
piperidine-1-carboxylic acid;styrene
CID 174300067
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
1-[(E)-2-phenylethenyl]azepane
CID 146169339
N-(1-phenylprop-1-en-2-ylsulfonyl)azepane-1-carboxamide
CID 54069100
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
CID 15445735

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-piperidin-1-ylprop-2-enoic acid?
The IUPAC name of 3-phenyl-2-piperidin-1-ylprop-2-enoic acid (CID 141448411) is 3-phenyl-2-piperidin-1-ylprop-2-enoic acid.
What is the SMILES notation for 3-phenyl-2-piperidin-1-ylprop-2-enoic acid?
The canonical SMILES for 3-phenyl-2-piperidin-1-ylprop-2-enoic acid is O=C(O)C(=Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 3-phenyl-2-piperidin-1-ylprop-2-enoic acid?
The InChIKey is MXXRBUYDCIQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13(15-9-5-2-6-10-15)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17).
What are the key properties of 3-phenyl-2-piperidin-1-ylprop-2-enoic acid?
3-phenyl-2-piperidin-1-ylprop-2-enoic acid has a molecular weight of 231.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-piperidin-1-ylprop-2-enoic acid is sourced from PubChem (CID 141448411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).