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

C20H29N3O2 — CID 58950812

IUPAC4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol
SMILESOC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1(O)CCNCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)7-9-21-10-8-20)14-23-11-5-15(6-12-23)17-13-22-18-4-2-1-3-16(17)18/h1-4,13,15,19,21-22,24-25H,5-12,14H2
InChIKeyCWQRQDGMQKSPKJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.82
Rot. Bonds4

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

4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol (PubChem CID 58950812) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol
PubChem CID58950812
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol
SMILESOC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1(O)CCNCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)7-9-21-10-8-20)14-23-11-5-15(6-12-23)17-13-22-18-4-2-1-3-16(17)18/h1-4,13,15,19,21-22,24-25H,5-12,14H2
InChIKeyCWQRQDGMQKSPKJ-UHFFFAOYSA-N
XLogP1.82
TPSA71.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol (CID 58950812) is 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol is OC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1(O)CCNCC1.
What is the InChIKey of 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol?
The InChIKey is CWQRQDGMQKSPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(20(25)7-9-21-10-8-20)14-23-11-5-15(6-12-23)17-13-22-18-4-2-1-3-16(17)18/h1-4,13,15,19,21-22,24-25H,5-12,14H2.
What are the key properties of 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol?
4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol has a molecular weight of 343.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 58950812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).