tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate

C14H28N2O2 — CID 20801241

IUPACtert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-8-6-12(7-9-16)10-15-13(17)18-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyQSOQTGMDBTXCKG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate (PubChem CID 20801241) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
PubChem CID20801241
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-8-6-12(7-9-16)10-15-13(17)18-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyQSOQTGMDBTXCKG-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]methyl]carbamate
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tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]carbamate
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tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[(1-ethylsulfanylpiperidin-4-yl)methyl]carbamate
CID 130293559
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate (CID 20801241) is tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate is CC(C)N1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate?
The InChIKey is QSOQTGMDBTXCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16-8-6-12(7-9-16)10-15-13(17)18-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 20801241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).