4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine

C35H42ClN3O2 — CID 175299851

IUPAC4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23NO.C16H19ClN2O/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h2-11,18-19H,12-15H2,1H3;3-10,16H,11-12H2,1-2H3
InChIKeyHLWLADYSIWKGPR-UHFFFAOYSA-N
MW572.19 g/mol
LogP7.29
Rot. Bonds10

About 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine

4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine (PubChem CID 175299851) has the molecular formula C35H42ClN3O2 and a molecular weight of 572.19 g/mol. Its IUPAC name is 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
PubChem CID175299851
Molecular FormulaC35H42ClN3O2
Molecular Weight572.19 g/mol
Exact Mass571.30
IUPAC Name4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23NO.C16H19ClN2O/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h2-11,18-19H,12-15H2,1H3;3-10,16H,11-12H2,1-2H3
InChIKeyHLWLADYSIWKGPR-UHFFFAOYSA-N
XLogP7.29
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.19
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine (CID 175299851) is 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The InChIKey is HLWLADYSIWKGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C16H19ClN2O/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h2-11,18-19H,12-15H2,1H3;3-10,16H,11-12H2,1-2H3.
What are the key properties of 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine has a molecular weight of 572.19 g/mol, XLogP of 7.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 175299851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).