tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate

C17H34N2O3 — CID 103765818

IUPACtert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)CC(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-13(2)10-15(20)12-18-11-14-6-8-19(9-7-14)16(21)22-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3
InChIKeySZOPCYZXEYGCBE-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.63
Rot. Bonds6

About tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103765818) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
PubChem CID103765818
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)CC(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-13(2)10-15(20)12-18-11-14-6-8-19(9-7-14)16(21)22-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3
InChIKeySZOPCYZXEYGCBE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]piperidine-1-carboxylate
CID 103765951
tert-butyl 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
CID 107151646
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372967
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate (CID 103765818) is tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate is CC(C)CC(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is SZOPCYZXEYGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(2)10-15(20)12-18-11-14-6-8-19(9-7-14)16(21)22-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103765818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).