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

C17H33N3O2 — CID 157040526

IUPACtert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-12-14-6-10-20(11-7-14)13-15-4-8-18-9-5-15/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyQMDKZTOTRCOWLF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.22
Rot. Bonds4

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

tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate (PubChem CID 157040526) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate
PubChem CID157040526
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-12-14-6-10-20(11-7-14)13-15-4-8-18-9-5-15/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyQMDKZTOTRCOWLF-UHFFFAOYSA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate (CID 157040526) is tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(CC2CCNCC2)CC1.
What is the InChIKey of tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is QMDKZTOTRCOWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-12-14-6-10-20(11-7-14)13-15-4-8-18-9-5-15/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 157040526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).