tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate

C15H31N3O2 — CID 104624574

IUPACtert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
SMILESCN1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)17-15(4,5)11-16-12-8-7-9-18(6)10-12/h12,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyWZINNPKQOMZZAD-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate (PubChem CID 104624574) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
PubChem CID104624574
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
SMILESCN1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)17-15(4,5)11-16-12-8-7-9-18(6)10-12/h12,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyWZINNPKQOMZZAD-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate (CID 104624574) is tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate is CN1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate?
The InChIKey is WZINNPKQOMZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)17-15(4,5)11-16-12-8-7-9-18(6)10-12/h12,16H,7-11H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 104624574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).