4-benzhydryloxy-1-methylpiperidin-1-ium chloride

C19H24ClNO — CID 43833355

IUPAC4-benzhydryloxy-1-methylpiperidin-1-ium chloride
SMILESC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H
InChIKeyLPRLDRXGWKXRMQ-UHFFFAOYSA-N
MW317.86 g/mol
LogP-0.53
Rot. Bonds4

About 4-benzhydryloxy-1-methylpiperidin-1-ium chloride

4-benzhydryloxy-1-methylpiperidin-1-ium chloride (PubChem CID 43833355) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 4-benzhydryloxy-1-methylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4-benzhydryloxy-1-methylpiperidin-1-ium chloride
PubChem CID43833355
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name4-benzhydryloxy-1-methylpiperidin-1-ium chloride
SMILESC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H
InChIKeyLPRLDRXGWKXRMQ-UHFFFAOYSA-N
XLogP-0.53
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-1-methylpiperidin-1-ium chloride?
The IUPAC name of 4-benzhydryloxy-1-methylpiperidin-1-ium chloride (CID 43833355) is 4-benzhydryloxy-1-methylpiperidin-1-ium chloride.
What is the SMILES notation for 4-benzhydryloxy-1-methylpiperidin-1-ium chloride?
The canonical SMILES for 4-benzhydryloxy-1-methylpiperidin-1-ium chloride is C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1.[Cl-].
What is the InChIKey of 4-benzhydryloxy-1-methylpiperidin-1-ium chloride?
The InChIKey is LPRLDRXGWKXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H.
What are the key properties of 4-benzhydryloxy-1-methylpiperidin-1-ium chloride?
4-benzhydryloxy-1-methylpiperidin-1-ium chloride has a molecular weight of 317.86 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-1-methylpiperidin-1-ium chloride is sourced from PubChem (CID 43833355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).