tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate

C14H27NO3 — CID 114452023

IUPACtert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C14H27NO3/c1-5-6-7-11-10-15(9-8-12(11)16)13(17)18-14(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyIQZKBKSMLWDIKR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate

tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate (PubChem CID 114452023) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
PubChem CID114452023
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C14H27NO3/c1-5-6-7-11-10-15(9-8-12(11)16)13(17)18-14(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyIQZKBKSMLWDIKR-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-butyl-4-hydroxypiperidine-1-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

tert-butyl 4-hydroxy-3-(3-methylsulfanylpropyl)piperidine-1-carboxylate
CID 114452021
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
CID 106729052
tert-butyl 3-(2-ethylsulfanylethyl)-4-hydroxypiperidine-1-carboxylate
CID 114452020
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propylpiperidine-4-carboxylic acid
CID 84809403
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 104928472
tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
CID 104928470

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate (CID 114452023) is tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate is CCCCC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is IQZKBKSMLWDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-7-11-10-15(9-8-12(11)16)13(17)18-14(2,3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate?
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 114452023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).