tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol

C23H46N2O4 — CID 158881142

IUPACtert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1CC(O)CCN1.CC(C)CC1CC(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3.C9H19NO/c1-10(2)8-11-9-12(16)6-7-15(11)13(17)18-14(3,4)5;1-7(2)5-8-6-9(11)3-4-10-8/h10-12,16H,6-9H2,1-5H3;7-11H,3-6H2,1-2H3
InChIKeyJDARDZQXOLHFSP-UHFFFAOYSA-N
MW414.63 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol

tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol (PubChem CID 158881142) has the molecular formula C23H46N2O4 and a molecular weight of 414.63 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol
PubChem CID158881142
Molecular FormulaC23H46N2O4
Molecular Weight414.63 g/mol
Exact Mass414.35
IUPAC Nametert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1CC(O)CCN1.CC(C)CC1CC(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3.C9H19NO/c1-10(2)8-11-9-12(16)6-7-15(11)13(17)18-14(3,4)5;1-7(2)5-8-6-9(11)3-4-10-8/h10-12,16H,6-9H2,1-5H3;7-11H,3-6H2,1-2H3
InChIKeyJDARDZQXOLHFSP-UHFFFAOYSA-N
XLogP3.94
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol 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-[2-[4-hydroxy-2-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11581745
tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 57855304
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate
CID 59745296
Tert-butyl 4-[[(trans)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913176
Tert-butyl 4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913177
2,2-Bis[(1-tert-butoxycarbonyl-4-piperidinyl)methyl]ethyl alcohol
CID 69492381
tert-butyl N-[(1S,3R)-3-[hydroxy-(4-hydroxypiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 70868075
[4-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-methylbutan-2-yl] (2S,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 132263133
tert-butyl 4-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 148459641
5-(4-Hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 154059531
Tert-butyl 4-hydroxypiperidine-1-carboxylate;2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
CID 157716742
Tert-butyl 2-(3-hydroxypropyl)piperidine-1-carboxylate;3-piperidin-2-ylpropan-1-ol
CID 158014908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol (CID 158881142) is tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol is CC(C)CC1CC(O)CCN1.CC(C)CC1CC(O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol?
The InChIKey is JDARDZQXOLHFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C9H19NO/c1-10(2)8-11-9-12(16)6-7-15(11)13(17)18-14(3,4)5;1-7(2)5-8-6-9(11)3-4-10-8/h10-12,16H,6-9H2,1-5H3;7-11H,3-6H2,1-2H3.
What are the key properties of tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol?
tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol has a molecular weight of 414.63 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 158881142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).