N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

C13H26N2O2 — CID 54907154

IUPACN-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15-5-3-12(4-6-15)14-9-13-10-16-7-8-17-13/h11-14H,3-10H2,1-2H3
InChIKeyGOSXDEBKUGVOFU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 54907154) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID54907154
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15-5-3-12(4-6-15)14-9-13-10-16-7-8-17-13/h11-14H,3-10H2,1-2H3
InChIKeyGOSXDEBKUGVOFU-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 54907154) is N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is GOSXDEBKUGVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15-5-3-12(4-6-15)14-9-13-10-16-7-8-17-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 54907154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).