1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride

C21H34ClNO — CID 11559395

IUPAC1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2CCCN1CCC(C)(C)CC1.Cl
InChIInChI=1S/C21H33NO.ClH/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18;/h9-10,16-17H,4-8,11-15H2,1-3H3;1H
InChIKeyFVRFZRHDQQGELR-UHFFFAOYSA-N
MW351.96 g/mol
LogP5.44
Rot. Bonds5

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

1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride (PubChem CID 11559395) has the molecular formula C21H34ClNO and a molecular weight of 351.96 g/mol. Its IUPAC name is 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
PubChem CID11559395
Molecular FormulaC21H34ClNO
Molecular Weight351.96 g/mol
Exact Mass351.23
IUPAC Name1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2CCCN1CCC(C)(C)CC1.Cl
InChIInChI=1S/C21H33NO.ClH/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18;/h9-10,16-17H,4-8,11-15H2,1-3H3;1H
InChIKeyFVRFZRHDQQGELR-UHFFFAOYSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11603049
(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
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
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11493574
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327541
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride (CID 11559395) is 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride is COc1ccc2c(c1)CCCC2CCCN1CCC(C)(C)CC1.Cl.
What is the InChIKey of 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride?
The InChIKey is FVRFZRHDQQGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO.ClH/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18;/h9-10,16-17H,4-8,11-15H2,1-3H3;1H.
What are the key properties of 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride?
1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride has a molecular weight of 351.96 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4,4-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 11559395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).