[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol

C22H29NO2 — CID 141448972

IUPAC[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol
SMILESCCOc1ccc(Cc2cccc(C3CCCC(CO)N3C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-3-25-21-12-10-17(11-13-21)14-18-6-4-7-19(15-18)22-9-5-8-20(16-24)23(22)2/h4,6-7,10-13,15,20,22,24H,3,5,8-9,14,16H2,1-2H3
InChIKeyZHNSQDFARKPTDO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.19
Rot. Bonds6

About [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol

[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol (PubChem CID 141448972) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol
PubChem CID141448972
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol
SMILESCCOc1ccc(Cc2cccc(C3CCCC(CO)N3C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-3-25-21-12-10-17(11-13-21)14-18-6-4-7-19(15-18)22-9-5-8-20(16-24)23(22)2/h4,6-7,10-13,15,20,22,24H,3,5,8-9,14,16H2,1-2H3
InChIKeyZHNSQDFARKPTDO-UHFFFAOYSA-N
XLogP4.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol?
The IUPAC name of [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol (CID 141448972) is [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol?
The canonical SMILES for [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol is CCOc1ccc(Cc2cccc(C3CCCC(CO)N3C)c2)cc1.
What is the InChIKey of [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol?
The InChIKey is ZHNSQDFARKPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-25-21-12-10-17(11-13-21)14-18-6-4-7-19(15-18)22-9-5-8-20(16-24)23(22)2/h4,6-7,10-13,15,20,22,24H,3,5,8-9,14,16H2,1-2H3.
What are the key properties of [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol?
[6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol has a molecular weight of 339.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[(4-ethoxyphenyl)methyl]phenyl]-1-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 141448972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).