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

C21H33N — CID 10590294

IUPAC3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESCC1(C)CCCN(CCCCC2CCCc3ccccc32)C1
InChIInChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-6-5-10-19-12-7-11-18-9-3-4-13-20(18)19/h3-4,9,13,19H,5-8,10-12,14-17H2,1-2H3
InChIKeyJAJILYYYWBUWHZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.40
Rot. Bonds5

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

3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (PubChem CID 10590294) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
PubChem CID10590294
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESCC1(C)CCCN(CCCCC2CCCc3ccccc32)C1
InChIInChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-6-5-10-19-12-7-11-18-9-3-4-13-20(18)19/h3-4,9,13,19H,5-8,10-12,14-17H2,1-2H3
InChIKeyJAJILYYYWBUWHZ-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.40
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 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (CID 10590294) is 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is CC1(C)CCCN(CCCCC2CCCc3ccccc32)C1.
What is the InChIKey of 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The InChIKey is JAJILYYYWBUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-6-5-10-19-12-7-11-18-9-3-4-13-20(18)19/h3-4,9,13,19H,5-8,10-12,14-17H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine has a molecular weight of 299.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is sourced from PubChem (CID 10590294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).