tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate

C15H30N2O2 — CID 84809189

IUPACtert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
SMILESCC(C)C1CCNCC1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-7-8-16-10-12(13)6-9-17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyDBFYVGUAKFTDEF-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate (PubChem CID 84809189) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
PubChem CID84809189
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
SMILESCC(C)C1CCNCC1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-7-8-16-10-12(13)6-9-17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyDBFYVGUAKFTDEF-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-[2-(2-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809179
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate (CID 84809189) is tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate is CC(C)C1CCNCC1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate?
The InChIKey is DBFYVGUAKFTDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)13-7-8-16-10-12(13)6-9-17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 84809189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).