tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate

C17H35N3O2 — CID 107444815

IUPACtert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCN1CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)20(15(21)22-17(4,5)6)13-10-18-14-8-11-19(7)12-9-14/h14,18H,8-13H2,1-7H3
InChIKeyUAKRZLKQZUYFOK-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate (PubChem CID 107444815) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
PubChem CID107444815
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCN1CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)20(15(21)22-17(4,5)6)13-10-18-14-8-11-19(7)12-9-14/h14,18H,8-13H2,1-7H3
InChIKeyUAKRZLKQZUYFOK-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-(2-hydroxypropyl)-N-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 107257034
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 106359667
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate
CID 107252674
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
CID 107445874
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-tert-butyl-N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]ethyl]carbamate
CID 107445831

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate (CID 107444815) is tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate is CN1CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The InChIKey is UAKRZLKQZUYFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-16(2,3)20(15(21)22-17(4,5)6)13-10-18-14-8-11-19(7)12-9-14/h14,18H,8-13H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 107444815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).