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

C19H21NO — CID 14175797

IUPAC1-methyl-4-(9H-xanthen-9-yl)piperidine
SMILESCN1CCC(C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyYAAHMQYMBZADRD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.27
Rot. Bonds1

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

1-methyl-4-(9H-xanthen-9-yl)piperidine (PubChem CID 14175797) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-methyl-4-(9H-xanthen-9-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(9H-xanthen-9-yl)piperidine
PubChem CID14175797
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-methyl-4-(9H-xanthen-9-yl)piperidine
SMILESCN1CCC(C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyYAAHMQYMBZADRD-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9H-xanthen-9-yl)piperidine?
The IUPAC name of 1-methyl-4-(9H-xanthen-9-yl)piperidine (CID 14175797) is 1-methyl-4-(9H-xanthen-9-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(9H-xanthen-9-yl)piperidine?
The canonical SMILES for 1-methyl-4-(9H-xanthen-9-yl)piperidine is CN1CCC(C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-(9H-xanthen-9-yl)piperidine?
The InChIKey is YAAHMQYMBZADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3.
What are the key properties of 1-methyl-4-(9H-xanthen-9-yl)piperidine?
1-methyl-4-(9H-xanthen-9-yl)piperidine has a molecular weight of 279.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9H-xanthen-9-yl)piperidine is sourced from PubChem (CID 14175797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).