4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine

C19H19N5O — CID 11493695

IUPAC4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine
SMILESc1ccc2c(c1)Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1
InChIInChI=1S/C19H19N5O/c1-2-4-16-14(3-1)18(12-7-9-20-10-8-12)15-6-5-13(11-17(15)25-16)19-21-23-24-22-19/h1-6,11-12,18,20H,7-10H2,(H,21,22,23,24)
InChIKeyMMMUURCPVUMFFP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.10
Rot. Bonds2

About 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine

4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine (PubChem CID 11493695) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine
PubChem CID11493695
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine
SMILESc1ccc2c(c1)Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1
InChIInChI=1S/C19H19N5O/c1-2-4-16-14(3-1)18(12-7-9-20-10-8-12)15-6-5-13(11-17(15)25-16)19-21-23-24-22-19/h1-6,11-12,18,20H,7-10H2,(H,21,22,23,24)
InChIKeyMMMUURCPVUMFFP-UHFFFAOYSA-N
XLogP3.10
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine?
The IUPAC name of 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine (CID 11493695) is 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine.
What is the SMILES notation for 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine?
The canonical SMILES for 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine is c1ccc2c(c1)Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1.
What is the InChIKey of 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine?
The InChIKey is MMMUURCPVUMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-4-16-14(3-1)18(12-7-9-20-10-8-12)15-6-5-13(11-17(15)25-16)19-21-23-24-22-19/h1-6,11-12,18,20H,7-10H2,(H,21,22,23,24).
What are the key properties of 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine?
4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine has a molecular weight of 333.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine is sourced from PubChem (CID 11493695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).