1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine

C10H21BN2 — CID 174064097

IUPAC1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
SMILESCCN1CCCC(N2CB(C)C2)C1
InChIInChI=1S/C10H21BN2/c1-3-12-6-4-5-10(7-12)13-8-11(2)9-13/h10H,3-9H2,1-2H3
InChIKeyRVAJNBAPUILTDC-UHFFFAOYSA-N
MW180.10 g/mol
LogP0.99
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine

1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine (PubChem CID 174064097) has the molecular formula C10H21BN2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
PubChem CID174064097
Molecular FormulaC10H21BN2
Molecular Weight180.10 g/mol
Exact Mass180.18
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
SMILESCCN1CCCC(N2CB(C)C2)C1
InChIInChI=1S/C10H21BN2/c1-3-12-6-4-5-10(7-12)13-8-11(2)9-13/h10H,3-9H2,1-2H3
InChIKeyRVAJNBAPUILTDC-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
CID 55031716
2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine
CID 54958850
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
CID 39733025
ethane;1-ethyl-3-methylpiperidine
CID 91361629
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine
CID 79397751

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine (CID 174064097) is 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine is CCN1CCCC(N2CB(C)C2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine?
The InChIKey is RVAJNBAPUILTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BN2/c1-3-12-6-4-5-10(7-12)13-8-11(2)9-13/h10H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine?
1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine has a molecular weight of 180.10 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine is sourced from PubChem (CID 174064097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).