2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate

C12H22N2O3 — CID 79349412

IUPAC2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
SMILESO=C(OCCO)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-9-10-17-12(16)14-7-3-11(4-8-14)13-5-1-2-6-13/h11,15H,1-10H2
InChIKeyXTRDDWSUQXTPSW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds3

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

2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate (PubChem CID 79349412) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
PubChem CID79349412
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
SMILESO=C(OCCO)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-9-10-17-12(16)14-7-3-11(4-8-14)13-5-1-2-6-13/h11,15H,1-10H2
InChIKeyXTRDDWSUQXTPSW-UHFFFAOYSA-N
XLogP0.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 112629389
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 6733175
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
methylsulfanyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 123224063
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
2-hydroxyethyl thiomorpholine-4-carboxylate
CID 79345320
2-hydroxyethyl 4,4-dimethylazepane-1-carboxylate
CID 79349080
butyl 4-(4-cyanopiperidin-1-yl)piperidine-1-carboxylate
CID 69057256

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate (CID 79349412) is 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate is O=C(OCCO)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate?
The InChIKey is XTRDDWSUQXTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-10-17-12(16)14-7-3-11(4-8-14)13-5-1-2-6-13/h11,15H,1-10H2.
What are the key properties of 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate?
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 79349412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).