phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate

C16H22N2O2 — CID 63719182

IUPACphenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-6-7-14(13-18)17-10-4-5-11-17/h1-3,8-9,14H,4-7,10-13H2
InChIKeyKEEURJUKDMAUPJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds2

About phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate

phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate (PubChem CID 63719182) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
PubChem CID63719182
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namephenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-6-7-14(13-18)17-10-4-5-11-17/h1-3,8-9,14H,4-7,10-13H2
InChIKeyKEEURJUKDMAUPJ-UHFFFAOYSA-N
XLogP2.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate (CID 63719182) is phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate?
The InChIKey is KEEURJUKDMAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20-15-8-2-1-3-9-15)18-12-6-7-14(13-18)17-10-4-5-11-17/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate?
phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 63719182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).