1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride

C19H22ClNO — CID 22683

IUPAC1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride
SMILESO=C(c1ccccc1)C(c1ccccc1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H21NO.ClH/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20;/h1-2,4-7,10-13,18H,3,8-9,14-15H2;1H
InChIKeyKIMMTMJYQHTYKF-UHFFFAOYSA-N
MW315.84 g/mol
LogP-0.32
Rot. Bonds4

About 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride

1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride (PubChem CID 22683) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride.

Molecular Properties

Compound Name1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride
PubChem CID22683
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride
SMILESO=C(c1ccccc1)C(c1ccccc1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H21NO.ClH/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20;/h1-2,4-7,10-13,18H,3,8-9,14-15H2;1H
InChIKeyKIMMTMJYQHTYKF-UHFFFAOYSA-N
XLogP-0.32
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride?
The IUPAC name of 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride (CID 22683) is 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride.
What is the SMILES notation for 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride?
The canonical SMILES for 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride is O=C(c1ccccc1)C(c1ccccc1)[NH+]1CCCCC1.[Cl-].
What is the InChIKey of 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride?
The InChIKey is KIMMTMJYQHTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20;/h1-2,4-7,10-13,18H,3,8-9,14-15H2;1H.
What are the key properties of 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride?
1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride has a molecular weight of 315.84 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-piperidin-1-ium-1-ylethanone chloride is sourced from PubChem (CID 22683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).