2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine

C20H34N2O — CID 144978602

IUPAC2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(OC)cc1[C@]1(CCN(C)C)CCN(C)C(C)C1
InChIInChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3/t16?,20-/m1/s1
InChIKeyMZDNQKHQQUDYQW-OTOKDRCRSA-N
MW318.51 g/mol
LogP3.56
Rot. Bonds6

About 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine

2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 144978602) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
PubChem CID144978602
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(OC)cc1[C@]1(CCN(C)C)CCN(C)C(C)C1
InChIInChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3/t16?,20-/m1/s1
InChIKeyMZDNQKHQQUDYQW-OTOKDRCRSA-N
XLogP3.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine (CID 144978602) is 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine is CCc1ccc(OC)cc1[C@]1(CCN(C)C)CCN(C)C(C)C1.
What is the InChIKey of 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is MZDNQKHQQUDYQW-OTOKDRCRSA-N. The full InChI is InChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3/t16?,20-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 318.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 144978602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).