N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine

C13H26N2O2 — CID 113408574

IUPACN-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCC1COCCO1
InChIInChI=1S/C13H26N2O2/c1-12(10-15-5-3-2-4-6-15)14-9-13-11-16-7-8-17-13/h12-14H,2-11H2,1H3
InChIKeyYRSXNAYEFRNGHH-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine

N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine (PubChem CID 113408574) 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-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
PubChem CID113408574
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCC1COCCO1
InChIInChI=1S/C13H26N2O2/c1-12(10-15-5-3-2-4-6-15)14-9-13-11-16-7-8-17-13/h12-14H,2-11H2,1H3
InChIKeyYRSXNAYEFRNGHH-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 54907830
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
1-morpholin-4-yl-N-(oxan-3-ylmethyl)propan-2-amine
CID 55242797
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107001489
N-(1,4-dioxan-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 61494260
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
N-[(5-methyloxolan-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 82834990
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 126816532

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine (CID 113408574) is N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine?
The InChIKey is YRSXNAYEFRNGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(10-15-5-3-2-4-6-15)14-9-13-11-16-7-8-17-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine?
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine has a molecular weight of 242.36 g/mol, XLogP of 0.87, 5 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-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 113408574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).