tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate

C14H28N2O3 — CID 60606736

IUPACtert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
SMILESCOCCN1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)15-11-12-7-5-6-8-16(12)9-10-18-4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyDWHJXCAVMWXURR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate (PubChem CID 60606736) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
PubChem CID60606736
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
SMILESCOCCN1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)15-11-12-7-5-6-8-16(12)9-10-18-4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyDWHJXCAVMWXURR-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[3-[[N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887489
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
tert-butyl N-[3-[[(2R)-1-[3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropyl]piperidin-2-yl]methylamino]-3-oxopropyl]carbamate
CID 99786774
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 71632253
tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 97174280
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate (CID 60606736) is tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate is COCCN1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is DWHJXCAVMWXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)15-11-12-7-5-6-8-16(12)9-10-18-4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 60606736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).