tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate

C16H30N2O3 — CID 58808171

IUPACtert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-10-6-14(7-11-18)20-12-13-4-8-17-9-5-13/h13-14,17H,4-12H2,1-3H3
InChIKeyHROHVPZZDPLGJJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate

tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate (PubChem CID 58808171) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
PubChem CID58808171
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-10-6-14(7-11-18)20-12-13-4-8-17-9-5-13/h13-14,17H,4-12H2,1-3H3
InChIKeyHROHVPZZDPLGJJ-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-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-[[4-(hydroxymethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864103
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
CID 168999917
tert-butyl 4-(2-oxopentyl)piperidine-1-carboxylate;1-piperidin-4-ylpentan-2-one;hydrochloride
CID 163426470
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 2-(piperidin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155212606
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine
CID 67744598

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate (CID 58808171) is tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCC2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is HROHVPZZDPLGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-10-6-14(7-11-18)20-12-13-4-8-17-9-5-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate?
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 58808171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).