6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde

C23H24N2O2 — CID 88947118

IUPAC6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC(NCc4ccccc4)C3)ccc12
InChIInChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(13-18(21)8-11-23(22)27)25-12-4-7-19(15-25)24-14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19,24,27H,4,7,12,14-15H2
InChIKeyIWGCTOPWBCMFFU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.12
Rot. Bonds5

About 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde

6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 88947118) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID88947118
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC(NCc4ccccc4)C3)ccc12
InChIInChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(13-18(21)8-11-23(22)27)25-12-4-7-19(15-25)24-14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19,24,27H,4,7,12,14-15H2
InChIKeyIWGCTOPWBCMFFU-UHFFFAOYSA-N
XLogP4.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.12
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 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde (CID 88947118) is 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCCC(NCc4ccccc4)C3)ccc12.
What is the InChIKey of 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is IWGCTOPWBCMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-16-22-21-10-9-20(13-18(21)8-11-23(22)27)25-12-4-7-19(15-25)24-14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19,24,27H,4,7,12,14-15H2.
What are the key properties of 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 360.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 88947118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).