2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate

C18H26N2O2 — CID 20511851

IUPAC2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
SMILESO=C(OCCN1CCCC1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H26N2O2/c21-17(22-15-14-20-12-4-5-13-20)18(8-10-19-11-9-18)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2
InChIKeyLZOYQOUKCPFNFO-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.95
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate

2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate (PubChem CID 20511851) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
PubChem CID20511851
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
SMILESO=C(OCCN1CCCC1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H26N2O2/c21-17(22-15-14-20-12-4-5-13-20)18(8-10-19-11-9-18)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2
InChIKeyLZOYQOUKCPFNFO-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate (CID 20511851) is 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate is O=C(OCCN1CCCC1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate?
The InChIKey is LZOYQOUKCPFNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(22-15-14-20-12-4-5-13-20)18(8-10-19-11-9-18)16-6-2-1-3-7-16/h1-3,6-7,19H,4-5,8-15H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate?
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 20511851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).