5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C18H28N2O — CID 82961944

IUPAC5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN1CCC(CN(C)C2CCCc3c(O)cccc32)CC1
InChIInChI=1S/C18H28N2O/c1-19-11-9-14(10-12-19)13-20(2)17-7-3-6-16-15(17)5-4-8-18(16)21/h4-5,8,14,17,21H,3,6-7,9-13H2,1-2H3
InChIKeyNESWNBNQDQPRBC-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.04
Rot. Bonds3

About 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol

5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82961944) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82961944
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN1CCC(CN(C)C2CCCc3c(O)cccc32)CC1
InChIInChI=1S/C18H28N2O/c1-19-11-9-14(10-12-19)13-20(2)17-7-3-6-16-15(17)5-4-8-18(16)21/h4-5,8,14,17,21H,3,6-7,9-13H2,1-2H3
InChIKeyNESWNBNQDQPRBC-UHFFFAOYSA-N
XLogP3.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82961944) is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CN1CCC(CN(C)C2CCCc3c(O)cccc32)CC1.
What is the InChIKey of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NESWNBNQDQPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-11-9-14(10-12-19)13-20(2)17-7-3-6-16-15(17)5-4-8-18(16)21/h4-5,8,14,17,21H,3,6-7,9-13H2,1-2H3.
What are the key properties of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82961944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).