tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate

C17H34N2O3 — CID 103948891

IUPACtert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
SMILESCC(C)(CCCO)CNC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-16(2,3)22-15(21)19-10-6-8-14(12-19)18-13-17(4,5)9-7-11-20/h14,18,20H,6-13H2,1-5H3
InChIKeyVUVOMTXWQZXOKH-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.77
Rot. Bonds6

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

tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate (PubChem CID 103948891) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
PubChem CID103948891
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
SMILESCC(C)(CCCO)CNC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-16(2,3)22-15(21)19-10-6-8-14(12-19)18-13-17(4,5)9-7-11-20/h14,18,20H,6-13H2,1-5H3
InChIKeyVUVOMTXWQZXOKH-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate (CID 103948891) is tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate is CC(C)(CCCO)CNC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate?
The InChIKey is VUVOMTXWQZXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-16(2,3)22-15(21)19-10-6-8-14(12-19)18-13-17(4,5)9-7-11-20/h14,18,20H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103948891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).