tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate

C21H38N2O3 — CID 171473639

IUPACtert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-20(2,3)26-19(25)23-14-10-21(11-15-23)8-4-16(5-9-21)18(24)17-6-12-22-13-7-17/h16-18,22,24H,4-15H2,1-3H3
InChIKeyWRINMGZUQZXAPA-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 171473639) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate
PubChem CID171473639
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Nametert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-20(2,3)26-19(25)23-14-10-21(11-15-23)8-4-16(5-9-21)18(24)17-6-12-22-13-7-17/h16-18,22,24H,4-15H2,1-3H3
InChIKeyWRINMGZUQZXAPA-UHFFFAOYSA-N
XLogP3.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-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

Tert-butyl 4-cyclohexyl-4-(1-hydroxy-2-methylpropyl)piperidine-1-carboxylate
CID 69807992
5-(4-Hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 154059531
Tert-butyl 4-cyclohexyl-4-(3-hydroxy-3-methylbutyl)piperidine-1-carboxylate;4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol;hydrochloride
CID 157204169
Tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol
CID 158881142
Tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate
CID 171080206
Tert-butyl 9-[acetyloxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 171473633
Tert-butyl 9-(4-hydroxybutyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 171484924
Tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate
CID 177321351
Tert-butyl 3-[[(3-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
CID 103699908
Tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730273
Tert-butyl 4-[[(3-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
CID 103765992
Ethyl 4-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]piperidine-1-carboxylate
CID 112230346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate (CID 171473639) is tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(C(O)C3CCNCC3)CC2)CC1.
What is the InChIKey of tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is WRINMGZUQZXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-20(2,3)26-19(25)23-14-10-21(11-15-23)8-4-16(5-9-21)18(24)17-6-12-22-13-7-17/h16-18,22,24H,4-15H2,1-3H3.
What are the key properties of tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 366.55 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 171473639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).