4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine

C22H25N — CID 2816947

IUPAC4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine
SMILESC1=C(N2CCC(Cc3ccccc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H25N/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)22-11-10-20-8-4-5-9-21(20)17-22/h1-9,17,19H,10-16H2
InChIKeyPWUAEEZOOSJBOR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.93
Rot. Bonds3

About 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine

4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine (PubChem CID 2816947) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine
PubChem CID2816947
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine
SMILESC1=C(N2CCC(Cc3ccccc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H25N/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)22-11-10-20-8-4-5-9-21(20)17-22/h1-9,17,19H,10-16H2
InChIKeyPWUAEEZOOSJBOR-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine?
The IUPAC name of 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine (CID 2816947) is 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine is C1=C(N2CCC(Cc3ccccc3)CC2)CCc2ccccc21.
What is the InChIKey of 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine?
The InChIKey is PWUAEEZOOSJBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)22-11-10-20-8-4-5-9-21(20)17-22/h1-9,17,19H,10-16H2.
What are the key properties of 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine?
4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine has a molecular weight of 303.45 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3,4-dihydronaphthalen-2-yl)piperidine is sourced from PubChem (CID 2816947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).