2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol

C19H24N4O — CID 119071846

IUPAC2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(C2CCCN(Cc3cccc4cc[nH]c34)C2)n1
InChIInChI=1S/C19H24N4O/c24-12-11-23-10-7-18(21-23)16-5-2-9-22(13-16)14-17-4-1-3-15-6-8-20-19(15)17/h1,3-4,6-8,10,16,20,24H,2,5,9,11-14H2
InChIKeyMNXUZDHGTIXPCT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.74
Rot. Bonds5

About 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 119071846) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID119071846
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(C2CCCN(Cc3cccc4cc[nH]c34)C2)n1
InChIInChI=1S/C19H24N4O/c24-12-11-23-10-7-18(21-23)16-5-2-9-22(13-16)14-17-4-1-3-15-6-8-20-19(15)17/h1,3-4,6-8,10,16,20,24H,2,5,9,11-14H2
InChIKeyMNXUZDHGTIXPCT-UHFFFAOYSA-N
XLogP2.74
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
CID 119060144
2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126444321
2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126439547
2-[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119064478
2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429690
2-[3-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119073447
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
2-[3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126435985
2-[[(3S)-3-[1-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126426757
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 164637157
2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126431614
2-[3-[(3S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429945

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol (CID 119071846) is 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol is OCCn1ccc(C2CCCN(Cc3cccc4cc[nH]c34)C2)n1.
What is the InChIKey of 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is MNXUZDHGTIXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-12-11-23-10-7-18(21-23)16-5-2-9-22(13-16)14-17-4-1-3-15-6-8-20-19(15)17/h1,3-4,6-8,10,16,20,24H,2,5,9,11-14H2.
What are the key properties of 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 324.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 119071846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).