3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine

C22H35N — CID 10760278

IUPAC3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine
SMILESCC1(C)CCCN(CCCCCC2CCCc3ccccc32)C1
InChIInChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-7-3-4-10-19-12-8-13-20-11-5-6-14-21(19)20/h5-6,11,14,19H,3-4,7-10,12-13,15-18H2,1-2H3
InChIKeyOAEOGYNATHWNGE-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.79
Rot. Bonds6

About 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine

3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine (PubChem CID 10760278) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine
PubChem CID10760278
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine
SMILESCC1(C)CCCN(CCCCCC2CCCc3ccccc32)C1
InChIInChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-7-3-4-10-19-12-8-13-20-11-5-6-14-21(19)20/h5-6,11,14,19H,3-4,7-10,12-13,15-18H2,1-2H3
InChIKeyOAEOGYNATHWNGE-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.79
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-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine (CID 10760278) is 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine is CC1(C)CCCN(CCCCCC2CCCc3ccccc32)C1.
What is the InChIKey of 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine?
The InChIKey is OAEOGYNATHWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-7-3-4-10-19-12-8-13-20-11-5-6-14-21(19)20/h5-6,11,14,19H,3-4,7-10,12-13,15-18H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine?
3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine has a molecular weight of 313.53 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperidine is sourced from PubChem (CID 10760278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).