tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate

C16H30N2O3 — CID 53256266

IUPACtert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-4-8-18(9-5-14)12-13-6-10-20-11-7-13/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyPHOFRHMPZBSNCA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate (PubChem CID 53256266) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate
PubChem CID53256266
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-4-8-18(9-5-14)12-13-6-10-20-11-7-13/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyPHOFRHMPZBSNCA-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 67991811
Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 82380583
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl N-[2-amino-1-(oxan-4-yl)ethyl]carbamate
CID 62385922
Tert-butyl 3-(morpholin-3-yl)piperidine-1-carboxylate
CID 82379221
tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
Tert-butyl 4-[(3-fluorooxan-4-yl)amino]piperidine-1-carboxylate
CID 58035081
tert-butyl N-[1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
CID 67126535
tert-butyl N-[1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-yl]carbamate
CID 67126536
tert-butyl N-(3-fluorooxan-4-yl)-N-piperidin-4-ylcarbamate
CID 67193019
tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
CID 67193021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate (CID 53256266) is tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate?
The InChIKey is PHOFRHMPZBSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-4-8-18(9-5-14)12-13-6-10-20-11-7-13/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxan-4-ylmethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 53256266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).