N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine

C12H24N2O2 — CID 60806783

IUPACN-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
SMILESCCN(CC1CCOCO1)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-14(11-3-6-13-7-4-11)9-12-5-8-15-10-16-12/h11-13H,2-10H2,1H3
InChIKeyHYAVWQJJWFDRMU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine

N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine (PubChem CID 60806783) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
PubChem CID60806783
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
SMILESCCN(CC1CCOCO1)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-14(11-3-6-13-7-4-11)9-12-5-8-15-10-16-12/h11-13H,2-10H2,1H3
InChIKeyHYAVWQJJWFDRMU-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dioxa-8-azaspiro[5.5]undecan-3-amine
CID 19883293
1,5-Dioxa-9-azaspiro[5.5]undecan-4-ylmethanamine
CID 19883312
1,5-Dioxa-8-azaspiro[5.5]undecan-10-amine
CID 19883315
1,5-Dioxa-8-azaspiro[5.5]undecan-4-ylmethanamine
CID 19883364
4-Azido-3,5-bis(methoxymethoxy)piperidine
CID 21874216
(3R,5R)-4-azido-3,5-bis(methoxymethoxy)piperidine
CID 58745556
(3R,5S)-4-azido-3,5-bis(methoxymethoxy)piperidine
CID 58745575
2-(2-Morpholin-4-ylethoxy)-2-propylmorpholine
CID 67562335
N-(2,2-Diethoxyethyl)-1-methyl-4-piperidinamine
CID 78911314
N-(2,2-Diethoxyethyl)-1-(1-methylethyl)-4-piperidinamine
CID 78911342
Ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol
CID 91464394
1,4'-Bipiperidine,3-methoxy-
CID 91664777

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine (CID 60806783) is N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine is CCN(CC1CCOCO1)C1CCNCC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine?
The InChIKey is HYAVWQJJWFDRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-14(11-3-6-13-7-4-11)9-12-5-8-15-10-16-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine?
N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60806783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).