1-methyl-4-(9H-xanthen-9-yloxy)piperidine

C19H21NO2 — CID 127044063

IUPAC1-methyl-4-(9H-xanthen-9-yloxy)piperidine
SMILESCN1CCC(OC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyYGPKIRKMSLOYIP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.99
Rot. Bonds2

About 1-methyl-4-(9H-xanthen-9-yloxy)piperidine

1-methyl-4-(9H-xanthen-9-yloxy)piperidine (PubChem CID 127044063) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-methyl-4-(9H-xanthen-9-yloxy)piperidine.

Molecular Properties

Compound Name1-methyl-4-(9H-xanthen-9-yloxy)piperidine
PubChem CID127044063
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-methyl-4-(9H-xanthen-9-yloxy)piperidine
SMILESCN1CCC(OC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyYGPKIRKMSLOYIP-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9H-xanthen-9-yloxy)piperidine?
The IUPAC name of 1-methyl-4-(9H-xanthen-9-yloxy)piperidine (CID 127044063) is 1-methyl-4-(9H-xanthen-9-yloxy)piperidine.
What is the SMILES notation for 1-methyl-4-(9H-xanthen-9-yloxy)piperidine?
The canonical SMILES for 1-methyl-4-(9H-xanthen-9-yloxy)piperidine is CN1CCC(OC2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-(9H-xanthen-9-yloxy)piperidine?
The InChIKey is YGPKIRKMSLOYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)21-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3.
What are the key properties of 1-methyl-4-(9H-xanthen-9-yloxy)piperidine?
1-methyl-4-(9H-xanthen-9-yloxy)piperidine has a molecular weight of 295.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9H-xanthen-9-yloxy)piperidine is sourced from PubChem (CID 127044063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).