tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate

C18H37N3O2 — CID 107250066

IUPACtert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
SMILESCCN1CCCC(C(C)NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-8-21-11-9-10-15(12-21)14(2)19-13-18(6,7)20-16(22)23-17(3,4)5/h14-15,19H,8-13H2,1-7H3,(H,20,22)
InChIKeyGTZPHRMHFSXZOJ-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.00
Rot. Bonds6

About tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 107250066) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
PubChem CID107250066
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
SMILESCCN1CCCC(C(C)NCC(C)(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-8-21-11-9-10-15(12-21)14(2)19-13-18(6,7)20-16(22)23-17(3,4)5/h14-15,19H,8-13H2,1-7H3,(H,20,22)
InChIKeyGTZPHRMHFSXZOJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
CID 107247379
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
3-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-hydroxypropanamide
CID 114153668
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
N-[2-methyl-1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859843

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate (CID 107250066) is tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate is CCN1CCCC(C(C)NCC(C)(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is GTZPHRMHFSXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-8-21-11-9-10-15(12-21)14(2)19-13-18(6,7)20-16(22)23-17(3,4)5/h14-15,19H,8-13H2,1-7H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107250066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).