tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate

C14H28N2O2 — CID 119028664

IUPACtert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-9-7-8-12(10-16)15(6)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyRAUCIRZVWLYMJW-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate

tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 119028664) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID119028664
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-9-7-8-12(10-16)15(6)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyRAUCIRZVWLYMJW-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175579
tert-butyl N-methyl-N-[(3R)-1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460391
tert-butyl N-methyl-N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 129425282
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-yl]carbamate
CID 86329864
tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate
CID 154068887
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate (CID 119028664) is tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate is CC(C)N1CCCC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is RAUCIRZVWLYMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16-9-7-8-12(10-16)15(6)13(17)18-14(3,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 119028664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).