(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium

C18H30N+ — CID 7188343

IUPAC(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium
SMILESCc1c(C)c(C)c(C[NH+]2CCCC[C@H]2C)c(C)c1C
InChIInChI=1S/C18H29N/c1-12-9-7-8-10-19(12)11-18-16(5)14(3)13(2)15(4)17(18)6/h12H,7-11H2,1-6H3/p+1/t12-/m1/s1
InChIKeyIBRLIOWTTKEVPB-GFCCVEGCSA-O
MW260.44 g/mol
LogP3.19
Rot. Bonds2

About (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium

(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium (PubChem CID 7188343) has the molecular formula C18H30N+ and a molecular weight of 260.44 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium
PubChem CID7188343
Molecular FormulaC18H30N+
Molecular Weight260.44 g/mol
Exact Mass260.24
IUPAC Name(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium
SMILESCc1c(C)c(C)c(C[NH+]2CCCC[C@H]2C)c(C)c1C
InChIInChI=1S/C18H29N/c1-12-9-7-8-10-19(12)11-18-16(5)14(3)13(2)15(4)17(18)6/h12H,7-11H2,1-6H3/p+1/t12-/m1/s1
InChIKeyIBRLIOWTTKEVPB-GFCCVEGCSA-O
XLogP3.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium?
The IUPAC name of (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium (CID 7188343) is (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium.
What is the SMILES notation for (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium?
The canonical SMILES for (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium is Cc1c(C)c(C)c(C[NH+]2CCCC[C@H]2C)c(C)c1C.
What is the InChIKey of (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium?
The InChIKey is IBRLIOWTTKEVPB-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H29N/c1-12-9-7-8-10-19(12)11-18-16(5)14(3)13(2)15(4)17(18)6/h12H,7-11H2,1-6H3/p+1/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium?
(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium has a molecular weight of 260.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium is sourced from PubChem (CID 7188343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).