[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol

C22H27N3O — CID 134329650

IUPAC[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1c(-c2ccncc2CO)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H27N3O/c1-14(2)21-19-11-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)18-7-10-24-12-17(18)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3
InChIKeyMFXBSSFPPJPYPW-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.31
Rot. Bonds4

About [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol

[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol (PubChem CID 134329650) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol
PubChem CID134329650
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1c(-c2ccncc2CO)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H27N3O/c1-14(2)21-19-11-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)18-7-10-24-12-17(18)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3
InChIKeyMFXBSSFPPJPYPW-UHFFFAOYSA-N
XLogP4.31
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol (CID 134329650) is [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol is CC(C)c1c(-c2ccncc2CO)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol?
The InChIKey is MFXBSSFPPJPYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14(2)21-19-11-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)18-7-10-24-12-17(18)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3.
What are the key properties of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol?
[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol has a molecular weight of 349.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 134329650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).