tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate

C18H35N3O2 — CID 68529581

IUPACtert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate
SMILESCN1CCC(N2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-5-15-6-13-21(14-7-15)16-8-11-20(4)12-9-16/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyUTVZQRHDXOLURB-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate

tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 68529581) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate
PubChem CID68529581
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate
SMILESCN1CCC(N2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-5-15-6-13-21(14-7-15)16-8-11-20(4)12-9-16/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyUTVZQRHDXOLURB-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate (CID 68529581) is tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate is CN1CCC(N2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is UTVZQRHDXOLURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-5-15-6-13-21(14-7-15)16-8-11-20(4)12-9-16/h15-16H,5-14H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68529581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).