1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride

C20H28ClNO — CID 11580804

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCCC3)cccc2c1.Cl
InChIInChI=1S/C20H27NO.ClH/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21;/h7,9-12,16H,2-6,8,13-15H2,1H3;1H
InChIKeyUGIUEUGZYKQXMB-UHFFFAOYSA-N
MW333.90 g/mol
LogP5.08
Rot. Bonds6

About 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride

1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride (PubChem CID 11580804) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride
PubChem CID11580804
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCCC3)cccc2c1.Cl
InChIInChI=1S/C20H27NO.ClH/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21;/h7,9-12,16H,2-6,8,13-15H2,1H3;1H
InChIKeyUGIUEUGZYKQXMB-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.90
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride (CID 11580804) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride is COc1ccc2c(CCCCN3CCCCC3)cccc2c1.Cl.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride?
The InChIKey is UGIUEUGZYKQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO.ClH/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21;/h7,9-12,16H,2-6,8,13-15H2,1H3;1H.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride?
1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxynaphthalen-1-yl)butyl]piperidine;hydrochloride is sourced from PubChem (CID 11580804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).