tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate

C17H35N3O2 — CID 103730102

IUPACtert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(C)(C)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)22-15(21)20-10-8-14(9-11-20)12-18-13-17(4,5)19(6)7/h14,18H,8-13H2,1-7H3
InChIKeyPSECMPNUQIPTTN-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.56
Rot. Bonds5

About tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 103730102) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID103730102
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(C)(C)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)22-15(21)20-10-8-14(9-11-20)12-18-13-17(4,5)19(6)7/h14,18H,8-13H2,1-7H3
InChIKeyPSECMPNUQIPTTN-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103838891
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
tert-butyl 4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625238
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 79699892
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate (CID 103730102) is tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate is CN(C)C(C)(C)CNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is PSECMPNUQIPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-16(2,3)22-15(21)20-10-8-14(9-11-20)12-18-13-17(4,5)19(6)7/h14,18H,8-13H2,1-7H3.
What are the key properties of tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 313.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).