tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate

C12H24N2O3 — CID 58522509

IUPACtert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate
SMILESCO[C@@H]1CN(C)CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)13-9-6-7-14(4)8-10(9)16-5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyYVDCOUWBVASHPD-NXEZZACHSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate (PubChem CID 58522509) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate
PubChem CID58522509
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate
SMILESCO[C@@H]1CN(C)CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)13-9-6-7-14(4)8-10(9)16-5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyYVDCOUWBVASHPD-NXEZZACHSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate (CID 58522509) is tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate is CO[C@@H]1CN(C)CC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate?
The InChIKey is YVDCOUWBVASHPD-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)13-9-6-7-14(4)8-10(9)16-5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 58522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).