4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid

C17H23NO3 — CID 143635783

IUPAC4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CC1(c2ccccc2)CCN(C=O)CC1
InChIInChI=1S/C17H23NO3/c1-14(11-16(20)21)12-17(15-5-3-2-4-6-15)7-9-18(13-19)10-8-17/h2-6,13-14H,7-12H2,1H3,(H,20,21)
InChIKeyRSMREBUFZCSOMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.68
Rot. Bonds6

About 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid

4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid (PubChem CID 143635783) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid
PubChem CID143635783
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CC1(c2ccccc2)CCN(C=O)CC1
InChIInChI=1S/C17H23NO3/c1-14(11-16(20)21)12-17(15-5-3-2-4-6-15)7-9-18(13-19)10-8-17/h2-6,13-14H,7-12H2,1H3,(H,20,21)
InChIKeyRSMREBUFZCSOMB-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-formylpiperazin-1-yl)butanoic acid
CID 82112365
(Z,3S)-3-[(1-phenylcyclopentyl)methyl]hexadec-9-enoic acid
CID 163094085
3-but-3-en-2-yl-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
CID 91661765
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
tert-butyl N-[(1-formyl-4-phenylpiperidin-4-yl)methyl]-N-methylcarbamate;ethane;1-(1-methoxyethyl)-3-methylidenecyclohexane
CID 143635764
3-(2-methylpentyl)-3-phenylazetidine
CID 79451361
actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide
CID 21303271
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-methyl-3-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-1-[(1-phenylcyclopropyl)methyl]urea
CID 99826059
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
CID 126451892

Frequently Asked Questions

What is the IUPAC name of 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid?
The IUPAC name of 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid (CID 143635783) is 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid?
The canonical SMILES for 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid is CC(CC(=O)O)CC1(c2ccccc2)CCN(C=O)CC1.
What is the InChIKey of 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid?
The InChIKey is RSMREBUFZCSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14(11-16(20)21)12-17(15-5-3-2-4-6-15)7-9-18(13-19)10-8-17/h2-6,13-14H,7-12H2,1H3,(H,20,21).
What are the key properties of 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid?
4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formyl-4-phenylpiperidin-4-yl)-3-methylbutanoic acid is sourced from PubChem (CID 143635783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).