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

C11H22N2O3 — CID 167292263

IUPACtert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
SMILESCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)7-9(8)14/h8-9,14H,5-7H2,1-4H3,(H,12,15)/t8-,9+/m0/s1
InChIKeyMOOGVNUVXMMWTR-DTWKUNHWSA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds1

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

tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate (PubChem CID 167292263) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
PubChem CID167292263
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
SMILESCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)7-9(8)14/h8-9,14H,5-7H2,1-4H3,(H,12,15)/t8-,9+/m0/s1
InChIKeyMOOGVNUVXMMWTR-DTWKUNHWSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[(3S,4R)-3-hydroxy-1,1-dioxothian-4-yl]carbamate
CID 178017060
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate
CID 67306918
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate (CID 167292263) is tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate is CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1.
What is the InChIKey of tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate?
The InChIKey is MOOGVNUVXMMWTR-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)7-9(8)14/h8-9,14H,5-7H2,1-4H3,(H,12,15)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate?
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 167292263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).