tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate

C17H29NO3 — CID 141078982

IUPACtert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1C1CCCCC1
InChIInChI=1S/C17H29NO3/c1-17(2,3)21-16(20)18-10-9-13(12-19)11-15(18)14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3
InChIKeyLAKJUILXRTXRJM-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.78
Rot. Bonds2

About tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate

tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate (PubChem CID 141078982) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate
PubChem CID141078982
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1C1CCCCC1
InChIInChI=1S/C17H29NO3/c1-17(2,3)21-16(20)18-10-9-13(12-19)11-15(18)14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3
InChIKeyLAKJUILXRTXRJM-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 2-cyclohexyl-4-formylpiperidine-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 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
(2S,4S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 146148517
2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 83903170
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
CID 83919917
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl 7-oxo-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepine-1-carboxylate
CID 83488863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate (CID 141078982) is tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C=O)CC1C1CCCCC1.
What is the InChIKey of tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate?
The InChIKey is LAKJUILXRTXRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,3)21-16(20)18-10-9-13(12-19)11-15(18)14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate?
tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate is sourced from PubChem (CID 141078982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).