4-benzhydrylidene-1-methylpiperidin-1-ium

C19H22N+ — CID 170849916

IUPAC4-benzhydrylidene-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-20-14-12-18(13-15-20)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1
InChIKeyPPACNRLZTRXGPJ-UHFFFAOYSA-O
MW264.39 g/mol
LogP2.80
Rot. Bonds2

About 4-benzhydrylidene-1-methylpiperidin-1-ium

4-benzhydrylidene-1-methylpiperidin-1-ium (PubChem CID 170849916) has the molecular formula C19H22N+ and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-benzhydrylidene-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-benzhydrylidene-1-methylpiperidin-1-ium
PubChem CID170849916
Molecular FormulaC19H22N+
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Name4-benzhydrylidene-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-20-14-12-18(13-15-20)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1
InChIKeyPPACNRLZTRXGPJ-UHFFFAOYSA-O
XLogP2.80
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-methylpiperidin-1-ium?
The IUPAC name of 4-benzhydrylidene-1-methylpiperidin-1-ium (CID 170849916) is 4-benzhydrylidene-1-methylpiperidin-1-ium.
What is the SMILES notation for 4-benzhydrylidene-1-methylpiperidin-1-ium?
The canonical SMILES for 4-benzhydrylidene-1-methylpiperidin-1-ium is C[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydrylidene-1-methylpiperidin-1-ium?
The InChIKey is PPACNRLZTRXGPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N/c1-20-14-12-18(13-15-20)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1.
What are the key properties of 4-benzhydrylidene-1-methylpiperidin-1-ium?
4-benzhydrylidene-1-methylpiperidin-1-ium has a molecular weight of 264.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-methylpiperidin-1-ium is sourced from PubChem (CID 170849916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).