ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate

C23H30N2O2 — CID 21950

IUPACethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCCNc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3
InChIKeyPXXKIYPSXYFATG-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.09
Rot. Bonds8

About ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 21950) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate
PubChem CID21950
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nameethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCCNc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3
InChIKeyPXXKIYPSXYFATG-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Anileridine
CID 8944
4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride (1:2)
CID 197194
Ethyl 1-((4-acetamidophenyl)methyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23723457
4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester, phosphate (1:1)
CID 16051989
Ethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-phenylpiperidine-4-carboxylate
CID 4914426
Piminodine Esylate
CID 3039186
N-(4-methylphenyl)-4-phenyloxane-4-carboxamide
CID 744209
1-{3-[2-(4-Nitro-phenyl)-acetylamino]-propyl}-4-phenyl-piperidine-4-carboxylic acid methyl ester
CID 44288857
1-{3-[3-(4-Nitro-phenyl)-propionylamino]-propyl}-4-phenyl-piperidine-4-carboxylic acid methyl ester
CID 44289089
2-(4-Phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45264280
2-(4-Phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 45264309
Ethyl 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 4018333

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate (CID 21950) is ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCCNc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is PXXKIYPSXYFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3.
What are the key properties of ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 21950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).