1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol

C21H33NO2 — CID 13363428

IUPAC1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
SMILESCOc1cccc(C2(C3(O)CCCCCCC3)CCN(C)CC2)c1
InChIInChI=1S/C21H33NO2/c1-22-15-13-20(14-16-22,18-9-8-10-19(17-18)24-2)21(23)11-6-4-3-5-7-12-21/h8-10,17,23H,3-7,11-16H2,1-2H3
InChIKeyKGCHKCLWANPJAA-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol

1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol (PubChem CID 13363428) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
PubChem CID13363428
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
SMILESCOc1cccc(C2(C3(O)CCCCCCC3)CCN(C)CC2)c1
InChIInChI=1S/C21H33NO2/c1-22-15-13-20(14-16-22,18-9-8-10-19(17-18)24-2)21(23)11-6-4-3-5-7-12-21/h8-10,17,23H,3-7,11-16H2,1-2H3
InChIKeyKGCHKCLWANPJAA-UHFFFAOYSA-N
XLogP4.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
CID 57075287
(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
CID 129404218
6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol
CID 141465392
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
(4aS,12aR)-7-chloro-4a-(3-methoxyphenyl)-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154180894
(4aS,11aR)-8-fluoro-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 67693336
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
N-[8a-hydroxy-4a-(3-methoxyphenyl)-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]benzamide
CID 19072086
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol (CID 13363428) is 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol is COc1cccc(C2(C3(O)CCCCCCC3)CCN(C)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol?
The InChIKey is KGCHKCLWANPJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-22-15-13-20(14-16-22,18-9-8-10-19(17-18)24-2)21(23)11-6-4-3-5-7-12-21/h8-10,17,23H,3-7,11-16H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol?
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol has a molecular weight of 331.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol is sourced from PubChem (CID 13363428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).