N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine

C15H30N2O2 — CID 54907830

IUPACN-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NCC2COCCO2)C1
InChIInChI=1S/C15H30N2O2/c1-3-6-17-7-4-5-14(11-17)13(2)16-10-15-12-18-8-9-19-15/h13-16H,3-12H2,1-2H3
InChIKeyHGDSCHCRRJGRSM-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine

N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine (PubChem CID 54907830) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
PubChem CID54907830
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NCC2COCCO2)C1
InChIInChI=1S/C15H30N2O2/c1-3-6-17-7-4-5-14(11-17)13(2)16-10-15-12-18-8-9-19-15/h13-16H,3-12H2,1-2H3
InChIKeyHGDSCHCRRJGRSM-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 114399559
N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 54906402
N-(oxan-4-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 63726467
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 79079312
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 113408574
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine (CID 54907830) is N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine is CCCN1CCCC(C(C)NCC2COCCO2)C1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
The InChIKey is HGDSCHCRRJGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-6-17-7-4-5-14(11-17)13(2)16-10-15-12-18-8-9-19-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine?
N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 6 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-(1-propylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 54907830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).