4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol

C19H24N4O — CID 171913881

IUPAC4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N4O/c24-19(14-23-12-8-20-15-23)6-10-22(11-7-19)9-5-16-13-21-18-4-2-1-3-17(16)18/h1-4,8,12-13,15,21,24H,5-7,9-11,14H2
InChIKeyWPNJZFLGDVCDJF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.43
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol (PubChem CID 171913881) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
PubChem CID171913881
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N4O/c24-19(14-23-12-8-20-15-23)6-10-22(11-7-19)9-5-16-13-21-18-4-2-1-3-17(16)18/h1-4,8,12-13,15,21,24H,5-7,9-11,14H2
InChIKeyWPNJZFLGDVCDJF-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
[(3S,4R)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 67913282
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
CID 54080331

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol (CID 171913881) is 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol is OC1(Cn2ccnc2)CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol?
The InChIKey is WPNJZFLGDVCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(14-23-12-8-20-15-23)6-10-22(11-7-19)9-5-16-13-21-18-4-2-1-3-17(16)18/h1-4,8,12-13,15,21,24H,5-7,9-11,14H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol has a molecular weight of 324.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 171913881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).