ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde

C15H24N2O2 — CID 171102953

IUPACethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
SMILESCC.COc1c(C=O)cccc1NC1CCNCC1
InChIInChI=1S/C13H18N2O2.C2H6/c1-17-13-10(9-16)3-2-4-12(13)15-11-5-7-14-8-6-11;1-2/h2-4,9,11,14-15H,5-8H2,1H3;1-2H3
InChIKeyAUFHMXPZQQGJAC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.70
Rot. Bonds4

About ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde

ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde (PubChem CID 171102953) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde.

Molecular Properties

Compound Nameethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
PubChem CID171102953
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
SMILESCC.COc1c(C=O)cccc1NC1CCNCC1
InChIInChI=1S/C13H18N2O2.C2H6/c1-17-13-10(9-16)3-2-4-12(13)15-11-5-7-14-8-6-11;1-2/h2-4,9,11,14-15H,5-8H2,1H3;1-2H3
InChIKeyAUFHMXPZQQGJAC-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde?
The IUPAC name of ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde (CID 171102953) is ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde.
What is the SMILES notation for ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde?
The canonical SMILES for ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde is CC.COc1c(C=O)cccc1NC1CCNCC1.
What is the InChIKey of ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde?
The InChIKey is AUFHMXPZQQGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6/c1-17-13-10(9-16)3-2-4-12(13)15-11-5-7-14-8-6-11;1-2/h2-4,9,11,14-15H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde?
ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde has a molecular weight of 264.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde is sourced from PubChem (CID 171102953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).