1-[1-(2-benzylphenoxy)propan-2-yl]piperidine

C21H27NO — CID 2326

IUPAC1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
SMILESCC(COc1ccccc1Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
InChIKeyJTUQXGZRVLWBCR-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.53
Rot. Bonds6

About 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine

1-[1-(2-benzylphenoxy)propan-2-yl]piperidine (PubChem CID 2326) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
PubChem CID2326
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
SMILESCC(COc1ccccc1Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
InChIKeyJTUQXGZRVLWBCR-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine?
The IUPAC name of 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine (CID 2326) is 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine?
The canonical SMILES for 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine is CC(COc1ccccc1Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine?
The InChIKey is JTUQXGZRVLWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3.
What are the key properties of 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine?
1-[1-(2-benzylphenoxy)propan-2-yl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine is sourced from PubChem (CID 2326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).