1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine

C22H35NO — CID 11603049

IUPAC1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
SMILESCOc1ccc2c(c1)CCCC2CCCCN1CCC(C)(C)CC1
InChIInChI=1S/C22H35NO/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/h10-11,17-18H,4-9,12-16H2,1-3H3
InChIKeyPKXQOVGMMYOSBL-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.41
Rot. Bonds6

About 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine

1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine (PubChem CID 11603049) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
PubChem CID11603049
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
SMILESCOc1ccc2c(c1)CCCC2CCCCN1CCC(C)(C)CC1
InChIInChI=1S/C22H35NO/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/h10-11,17-18H,4-9,12-16H2,1-3H3
InChIKeyPKXQOVGMMYOSBL-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.41
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-[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
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11493574
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103783282
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
CID 95589805
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine (CID 11603049) is 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine is COc1ccc2c(c1)CCCC2CCCCN1CCC(C)(C)CC1.
What is the InChIKey of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
The InChIKey is PKXQOVGMMYOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/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/h10-11,17-18H,4-9,12-16H2,1-3H3.
What are the key properties of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine?
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine has a molecular weight of 329.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 11603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).