tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate

C20H38N2O3 — CID 113248702

IUPACtert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NCC1CCCCC1O
InChIInChI=1S/C20H38N2O3/c1-15(21-14-16-9-5-6-11-18(16)23)13-17-10-7-8-12-22(17)19(24)25-20(2,3)4/h15-18,21,23H,5-14H2,1-4H3
InChIKeyVZSKTJUBLPXPCJ-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate

tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate (PubChem CID 113248702) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
PubChem CID113248702
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Nametert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NCC1CCCCC1O
InChIInChI=1S/C20H38N2O3/c1-15(21-14-16-9-5-6-11-18(16)23)13-17-10-7-8-12-22(17)19(24)25-20(2,3)4/h15-18,21,23H,5-14H2,1-4H3
InChIKeyVZSKTJUBLPXPCJ-UHFFFAOYSA-N
XLogP3.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]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 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 103275825
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
CID 104861282
tert-butyl 2-[2-(4-aminobutylamino)propyl]piperidine-1-carboxylate
CID 103723964
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473
tert-butyl 2-[2-(pent-4-ynylamino)propyl]azepane-1-carboxylate
CID 106220705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate (CID 113248702) is tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NCC1CCCCC1O.
What is the InChIKey of tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate?
The InChIKey is VZSKTJUBLPXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-15(21-14-16-9-5-6-11-18(16)23)13-17-10-7-8-12-22(17)19(24)25-20(2,3)4/h15-18,21,23H,5-14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate has a molecular weight of 354.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 113248702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).