1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine

C21H27NO — CID 56680450

IUPAC1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine
SMILESCc1ccccc1C(OCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-18-10-6-7-13-20(18)21(19-11-4-2-5-12-19)23-17-16-22-14-8-3-9-15-22/h2,4-7,10-13,21H,3,8-9,14-17H2,1H3
InChIKeyDNTBVGOIAFWLAF-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.59
Rot. Bonds6

About 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine

1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine (PubChem CID 56680450) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine
PubChem CID56680450
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine
SMILESCc1ccccc1C(OCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-18-10-6-7-13-20(18)21(19-11-4-2-5-12-19)23-17-16-22-14-8-3-9-15-22/h2,4-7,10-13,21H,3,8-9,14-17H2,1H3
InChIKeyDNTBVGOIAFWLAF-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine (CID 56680450) is 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine is Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine?
The InChIKey is DNTBVGOIAFWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-18-10-6-7-13-20(18)21(19-11-4-2-5-12-19)23-17-16-22-14-8-3-9-15-22/h2,4-7,10-13,21H,3,8-9,14-17H2,1H3.
What are the key properties of 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine?
1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]piperidine is sourced from PubChem (CID 56680450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).