2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C18H27N3O — CID 23723478

IUPAC2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-3-21-13-15(17-6-4-5-7-18(17)21)12-20-10-9-19(2)16(14-20)8-11-22/h4-7,13,16,22H,3,8-12,14H2,1-2H3
InChIKeyPFYVONRGUIIHOU-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 23723478) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID23723478
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-3-21-13-15(17-6-4-5-7-18(17)21)12-20-10-9-19(2)16(14-20)8-11-22/h4-7,13,16,22H,3,8-12,14H2,1-2H3
InChIKeyPFYVONRGUIIHOU-UHFFFAOYSA-N
XLogP2.16
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
NOP agonist-2
CID 129188443
Decussine
CID 156336
7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
CID 3033452
1-methyl-N,N-dimethyltryptamine
CID 25927
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
(2-Indol-1-yl-ethyl)-dimethyl-amine
CID 15893127
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
Indole, 14
CID 44473055
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
CID 134563655
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 23723478) is 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol is CCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc21.
What is the InChIKey of 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is PFYVONRGUIIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-21-13-15(17-6-4-5-7-18(17)21)12-20-10-9-19(2)16(14-20)8-11-22/h4-7,13,16,22H,3,8-12,14H2,1-2H3.
What are the key properties of 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 301.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylindol-3-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 23723478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).