pyrrolidin-3-yl piperidine-1-carboxylate

C10H18N2O2 — CID 79337599

IUPACpyrrolidin-3-yl piperidine-1-carboxylate
SMILESO=C(OC1CCNC1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-9-4-5-11-8-9/h9,11H,1-8H2
InChIKeyYIKXQGRYYHSWJO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds1

About pyrrolidin-3-yl piperidine-1-carboxylate

pyrrolidin-3-yl piperidine-1-carboxylate (PubChem CID 79337599) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is pyrrolidin-3-yl piperidine-1-carboxylate.

Molecular Properties

Compound Namepyrrolidin-3-yl piperidine-1-carboxylate
PubChem CID79337599
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namepyrrolidin-3-yl piperidine-1-carboxylate
SMILESO=C(OC1CCNC1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-9-4-5-11-8-9/h9,11H,1-8H2
InChIKeyYIKXQGRYYHSWJO-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-pyrrolidin-3-yl] morpholine-4-carboxylate
CID 124511796
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
azetidin-3-yl 4-methylpiperidine-1-carboxylate
CID 79337031
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 66246383
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(3-aminocyclobutyl) pyrrolidine-1-carboxylate
CID 79346584
pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 142775986
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl piperidine-1-carboxylate?
The IUPAC name of pyrrolidin-3-yl piperidine-1-carboxylate (CID 79337599) is pyrrolidin-3-yl piperidine-1-carboxylate.
What is the SMILES notation for pyrrolidin-3-yl piperidine-1-carboxylate?
The canonical SMILES for pyrrolidin-3-yl piperidine-1-carboxylate is O=C(OC1CCNC1)N1CCCCC1.
What is the InChIKey of pyrrolidin-3-yl piperidine-1-carboxylate?
The InChIKey is YIKXQGRYYHSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-9-4-5-11-8-9/h9,11H,1-8H2.
What are the key properties of pyrrolidin-3-yl piperidine-1-carboxylate?
pyrrolidin-3-yl piperidine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl piperidine-1-carboxylate is sourced from PubChem (CID 79337599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).