tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate

C12H24N2O3 — CID 166561133

IUPACtert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
SMILESCOCC1CCNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10-7-13-6-5-9(10)8-16-4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyQEASKYHMPMCPKS-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.14
Rot. Bonds3

About tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate

tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate (PubChem CID 166561133) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
PubChem CID166561133
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
SMILESCOCC1CCNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10-7-13-6-5-9(10)8-16-4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyQEASKYHMPMCPKS-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
CID 137480727
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3R)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
CID 174031687
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate (CID 166561133) is tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate is COCC1CCNCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate?
The InChIKey is QEASKYHMPMCPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10-7-13-6-5-9(10)8-16-4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate?
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 166561133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).