[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate

C14H28N2O2 — CID 140737739

IUPAC[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)[C@@H]1CCCN[C@@H]1COC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)11-7-6-8-15-12(11)9-18-13(17)16-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyAZURLLHZCHLJAG-NWDGAFQWSA-N
MW256.39 g/mol
LogP2.54
Rot. Bonds3

About [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate

[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 140737739) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate
PubChem CID140737739
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)[C@@H]1CCCN[C@@H]1COC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)11-7-6-8-15-12(11)9-18-13(17)16-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyAZURLLHZCHLJAG-NWDGAFQWSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
CID 175554542
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
tert-butyl N-[2-(2-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809179
N-tert-butyl-2-(piperidin-2-ylmethoxy)propanamide
CID 62341255
3-propan-2-ylpiperidine-2-carboxylic acid
CID 130003072
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
CID 54290526
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709
N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
CID 154936756
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate (CID 140737739) is [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate is CC(C)[C@@H]1CCCN[C@@H]1COC(=O)NC(C)(C)C.
What is the InChIKey of [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is AZURLLHZCHLJAG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)11-7-6-8-15-12(11)9-18-13(17)16-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate?
[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 140737739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).