N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine

C12H24N2O2 — CID 61025093

IUPACN-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C12H24N2O2/c1-2-14-5-3-11(4-6-14)13-9-12-10-15-7-8-16-12/h11-13H,2-10H2,1H3
InChIKeyCWESGVUUJBKMFG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds4

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

N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine (PubChem CID 61025093) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
PubChem CID61025093
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C12H24N2O2/c1-2-14-5-3-11(4-6-14)13-9-12-10-15-7-8-16-12/h11-13H,2-10H2,1H3
InChIKeyCWESGVUUJBKMFG-UHFFFAOYSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
N-(1,4-dioxan-2-ylmethyl)oxepan-4-amine
CID 65081559
N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
CID 65080084
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931828
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
1-[4-[(4-ethylmorpholin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 115616612
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 79165540
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
ethyl 4-[4-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42372087

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine (CID 61025093) is N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine is CCN1CCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine?
The InChIKey is CWESGVUUJBKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-14-5-3-11(4-6-14)13-9-12-10-15-7-8-16-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.48, 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-ethylpiperidin-4-amine is sourced from PubChem (CID 61025093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).