piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide

C15H19BrN2O — CID 54609992

IUPACpiperidin-2-yl(quinolin-2-yl)methanol;hydrobromide
SMILESBr.OC(c1ccc2ccccc2n1)C1CCCCN1
InChIInChI=1S/C15H18N2O.BrH/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14;/h1-2,5-6,8-9,13,15-16,18H,3-4,7,10H2;1H
InChIKeyJIXYOCDQFQDMIH-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.99
Rot. Bonds2

About piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide

piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide (PubChem CID 54609992) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide.

Molecular Properties

Compound Namepiperidin-2-yl(quinolin-2-yl)methanol;hydrobromide
PubChem CID54609992
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Namepiperidin-2-yl(quinolin-2-yl)methanol;hydrobromide
SMILESBr.OC(c1ccc2ccccc2n1)C1CCCCN1
InChIInChI=1S/C15H18N2O.BrH/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14;/h1-2,5-6,8-9,13,15-16,18H,3-4,7,10H2;1H
InChIKeyJIXYOCDQFQDMIH-UHFFFAOYSA-N
XLogP2.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide?
The IUPAC name of piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide (CID 54609992) is piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide.
What is the SMILES notation for piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide?
The canonical SMILES for piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide is Br.OC(c1ccc2ccccc2n1)C1CCCCN1.
What is the InChIKey of piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide?
The InChIKey is JIXYOCDQFQDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.BrH/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14;/h1-2,5-6,8-9,13,15-16,18H,3-4,7,10H2;1H.
What are the key properties of piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide?
piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide has a molecular weight of 323.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide is sourced from PubChem (CID 54609992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).