1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol

C20H24N2O2 — CID 21482867

IUPAC1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol
SMILESCCN1CCCC(Nc2c(O)ccc3c2Cc2ccccc2O3)C1
InChIInChI=1S/C20H24N2O2/c1-2-22-11-5-7-15(13-22)21-20-16-12-14-6-3-4-8-18(14)24-19(16)10-9-17(20)23/h3-4,6,8-10,15,21,23H,2,5,7,11-13H2,1H3
InChIKeyHWMSOQMREOQEMZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.98
Rot. Bonds3

About 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol

1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol (PubChem CID 21482867) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol
PubChem CID21482867
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol
SMILESCCN1CCCC(Nc2c(O)ccc3c2Cc2ccccc2O3)C1
InChIInChI=1S/C20H24N2O2/c1-2-22-11-5-7-15(13-22)21-20-16-12-14-6-3-4-8-18(14)24-19(16)10-9-17(20)23/h3-4,6,8-10,15,21,23H,2,5,7,11-13H2,1H3
InChIKeyHWMSOQMREOQEMZ-UHFFFAOYSA-N
XLogP3.98
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
CID 61170168
N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482821
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol?
The IUPAC name of 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol (CID 21482867) is 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol.
What is the SMILES notation for 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol?
The canonical SMILES for 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol is CCN1CCCC(Nc2c(O)ccc3c2Cc2ccccc2O3)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol?
The InChIKey is HWMSOQMREOQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-22-11-5-7-15(13-22)21-20-16-12-14-6-3-4-8-18(14)24-19(16)10-9-17(20)23/h3-4,6,8-10,15,21,23H,2,5,7,11-13H2,1H3.
What are the key properties of 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol?
1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol is sourced from PubChem (CID 21482867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).