ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate

C13H23NO3 — CID 167433190

IUPACethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC2CCC2)CCC1O
InChIInChI=1S/C13H23NO3/c1-2-17-13(16)11-9-14(7-6-12(11)15)8-10-4-3-5-10/h10-12,15H,2-9H2,1H3
InChIKeyWTCOMYFGBTVCLR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds4

About ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate

ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate (PubChem CID 167433190) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate
PubChem CID167433190
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC2CCC2)CCC1O
InChIInChI=1S/C13H23NO3/c1-2-17-13(16)11-9-14(7-6-12(11)15)8-10-4-3-5-10/h10-12,15H,2-9H2,1H3
InChIKeyWTCOMYFGBTVCLR-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 129493931
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl (3S,4R)-1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 70358112
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484
ethyl (3R,4R)-1-(cyclooctylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-3-carboxylate
CID 10525802
diethyl (3R,4S)-1-(2-aminoethyl)pyrrolidine-3,4-dicarboxylate
CID 59451023
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
ethyl (3R,4R)-4-hydroxy-1-[2-(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethyl]piperidine-3-carboxylate
CID 67895621
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate (CID 167433190) is ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate is CCOC(=O)C1CN(CC2CCC2)CCC1O.
What is the InChIKey of ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate?
The InChIKey is WTCOMYFGBTVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-13(16)11-9-14(7-6-12(11)15)8-10-4-3-5-10/h10-12,15H,2-9H2,1H3.
What are the key properties of ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate?
ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 167433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).