ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate

C14H23N3O3 — CID 99819039

IUPACethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1
InChIInChI=1S/C14H23N3O3/c1-2-20-14(19)12-5-3-7-16(9-12)10-13(18)11-17-8-4-6-15-17/h4,6,8,12-13,18H,2-3,5,7,9-11H2,1H3/t12-,13+/m0/s1
InChIKeyWGBARWOESWCSHJ-QWHCGFSZSA-N
MW281.36 g/mol
LogP0.52
Rot. Bonds6

About ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate

ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate (PubChem CID 99819039) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
PubChem CID99819039
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1
InChIInChI=1S/C14H23N3O3/c1-2-20-14(19)12-5-3-7-16(9-12)10-13(18)11-17-8-4-6-15-17/h4,6,8,12-13,18H,2-3,5,7,9-11H2,1H3/t12-,13+/m0/s1
InChIKeyWGBARWOESWCSHJ-QWHCGFSZSA-N
XLogP0.52
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
CID 94176749
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
ethyl (3R)-1-(2,2-dimethoxyethyl)piperidine-3-carboxylate
CID 115538052
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl (3R)-1-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]piperidine-3-carboxylate
CID 27331776
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate (CID 99819039) is ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1.
What is the InChIKey of ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate?
The InChIKey is WGBARWOESWCSHJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-20-14(19)12-5-3-7-16(9-12)10-13(18)11-17-8-4-6-15-17/h4,6,8,12-13,18H,2-3,5,7,9-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate is sourced from PubChem (CID 99819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).