2-benzhydryl-4-methoxypiperidine

C19H23NO — CID 173030421

IUPAC2-benzhydryl-4-methoxypiperidine
SMILESCOC1CCNC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-21-17-12-13-20-18(14-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3
InChIKeyKOJDJJDNTHOCBM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.59
Rot. Bonds4

About 2-benzhydryl-4-methoxypiperidine

2-benzhydryl-4-methoxypiperidine (PubChem CID 173030421) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-benzhydryl-4-methoxypiperidine.

Molecular Properties

Compound Name2-benzhydryl-4-methoxypiperidine
PubChem CID173030421
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-benzhydryl-4-methoxypiperidine
SMILESCOC1CCNC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-21-17-12-13-20-18(14-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3
InChIKeyKOJDJJDNTHOCBM-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(+/-)-threo-Ritalinol acetate
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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-methoxypiperidine?
The IUPAC name of 2-benzhydryl-4-methoxypiperidine (CID 173030421) is 2-benzhydryl-4-methoxypiperidine.
What is the SMILES notation for 2-benzhydryl-4-methoxypiperidine?
The canonical SMILES for 2-benzhydryl-4-methoxypiperidine is COC1CCNC(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-benzhydryl-4-methoxypiperidine?
The InChIKey is KOJDJJDNTHOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-17-12-13-20-18(14-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3.
What are the key properties of 2-benzhydryl-4-methoxypiperidine?
2-benzhydryl-4-methoxypiperidine has a molecular weight of 281.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-methoxypiperidine is sourced from PubChem (CID 173030421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).