tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate

C19H36N2O2 — CID 106634012

IUPACtert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(C)CC(NCC2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-14-10-15(2)12-16(11-14)20-13-17-8-6-7-9-21(17)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3
InChIKeyQVDDVVCUUPKSOI-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.19
Rot. Bonds3

About tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 106634012) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
PubChem CID106634012
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(C)CC(NCC2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-14-10-15(2)12-16(11-14)20-13-17-8-6-7-9-21(17)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3
InChIKeyQVDDVVCUUPKSOI-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244434
tert-butyl 2-[[(3-methoxycarbonylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 112753639
tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]piperidine-1-carboxylate
CID 106634503
tert-butyl 2-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103782669
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[(4-ethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638143
tert-butyl 2-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106636999

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate (CID 106634012) is tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate is CC1CC(C)CC(NCC2CCCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is QVDDVVCUUPKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-14-10-15(2)12-16(11-14)20-13-17-8-6-7-9-21(17)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106634012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).