1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine

C22H31NO — CID 11493574

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
SMILESCOc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
InChIInChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3
InChIKeyURSHIDUDJLBABT-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.29
Rot. Bonds6

About 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine

1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine (PubChem CID 11493574) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
PubChem CID11493574
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
SMILESCOc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
InChIInChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3
InChIKeyURSHIDUDJLBABT-UHFFFAOYSA-N
XLogP5.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.29
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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Related Compounds

1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
CID 11573193
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
CID 11617475
3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
CID 135033356
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11603049
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine;hydrochloride
CID 11603048
1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
CID 11559395
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
1,4,7,10-tetrakis(4-pyren-1-ylbutyl)-1,4,7,10-tetrazacyclododecane
CID 132500241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine (CID 11493574) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine is COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The InChIKey is URSHIDUDJLBABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine has a molecular weight of 325.50 g/mol, XLogP of 5.29, 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]-4,4-dimethylpiperidine is sourced from PubChem (CID 11493574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).