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

C12H24N2O3 — CID 67957499

IUPACtert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-12(9-16-4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyOEDDMSWXGNFBJQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.28
Rot. Bonds3

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

tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate (PubChem CID 67957499) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate
PubChem CID67957499
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-12(9-16-4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyOEDDMSWXGNFBJQ-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate
CID 19691370
Methyl 4-(((1,1-dimethylethoxy)carbonyl)amino)-4-piperidinecarboxylate
CID 14537079
Tert-butyl (4-ethylpiperidin-4-yl)carbamate
CID 17860920
Tert-butyl 4-amino-4-(methoxymethyl)piperidine-1-carboxylate
CID 21882533
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
(3R,4S)-4-Amino-1-boc-3-methoxypiperidine
CID 57362389
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 67991811
trans-4-Amino-1-boc-3-methoxypiperidine
CID 68054336
Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 82380583
tert-Butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 84805339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate (CID 67957499) is tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate is COCC1(NC(=O)OC(C)(C)C)CCNCC1.
What is the InChIKey of tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate?
The InChIKey is OEDDMSWXGNFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-12(9-16-4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate?
tert-butyl N-[4-(methoxymethyl)piperidin-4-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.28, 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-4-yl]carbamate is sourced from PubChem (CID 67957499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).