4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine

C26H35N — CID 11792956

IUPAC4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESc1ccc(CC2CCN(CCCCC3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H35N/c1-2-9-22(10-3-1)21-23-16-19-27(20-17-23)18-7-6-12-25-14-8-13-24-11-4-5-15-26(24)25/h1-5,9-11,15,23,25H,6-8,12-14,16-21H2
InChIKeyBDVZYHSLLRBSCD-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.23
Rot. Bonds7

About 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine

4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (PubChem CID 11792956) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
PubChem CID11792956
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESc1ccc(CC2CCN(CCCCC3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H35N/c1-2-9-22(10-3-1)21-23-16-19-27(20-17-23)18-7-6-12-25-14-8-13-24-11-4-5-15-26(24)25/h1-5,9-11,15,23,25H,6-8,12-14,16-21H2
InChIKeyBDVZYHSLLRBSCD-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The IUPAC name of 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (CID 11792956) is 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The canonical SMILES for 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is c1ccc(CC2CCN(CCCCC3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The InChIKey is BDVZYHSLLRBSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-2-9-22(10-3-1)21-23-16-19-27(20-17-23)18-7-6-12-25-14-8-13-24-11-4-5-15-26(24)25/h1-5,9-11,15,23,25H,6-8,12-14,16-21H2.
What are the key properties of 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine has a molecular weight of 361.57 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is sourced from PubChem (CID 11792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).