benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate

C17H24N2O2 — CID 175106177

IUPACbenzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21-13-14-5-2-1-3-6-14)19-11-8-15(9-12-19)16-7-4-10-18-16/h1-3,5-6,15-16,18H,4,7-13H2
InChIKeyUZKGBGZJSTWBHB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds3

About benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate

benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate (PubChem CID 175106177) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
PubChem CID175106177
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21-13-14-5-2-1-3-6-14)19-11-8-15(9-12-19)16-7-4-10-18-16/h1-3,5-6,15-16,18H,4,7-13H2
InChIKeyUZKGBGZJSTWBHB-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate (CID 175106177) is benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate?
The InChIKey is UZKGBGZJSTWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21-13-14-5-2-1-3-6-14)19-11-8-15(9-12-19)16-7-4-10-18-16/h1-3,5-6,15-16,18H,4,7-13H2.
What are the key properties of benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate?
benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 175106177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).