(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H24N4O — CID 124516631

IUPAC(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H24N4O/c1-22-12-9-21-19(22)18(24)14-6-10-23(11-7-14)13-15-3-2-4-17-16(15)5-8-20-17/h2-5,8-9,12,14,18,20,24H,6-7,10-11,13H2,1H3/t18-/m1/s1
InChIKeyAKDZJJGPNCLUIM-GOSISDBHSA-N
MW324.43 g/mol
LogP2.85
Rot. Bonds4

About (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124516631) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124516631
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H24N4O/c1-22-12-9-21-19(22)18(24)14-6-10-23(11-7-14)13-15-3-2-4-17-16(15)5-8-20-17/h2-5,8-9,12,14,18,20,24H,6-7,10-11,13H2,1H3/t18-/m1/s1
InChIKeyAKDZJJGPNCLUIM-GOSISDBHSA-N
XLogP2.85
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 124516631) is (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@H](O)C1CCN(Cc2cccc3[nH]ccc23)CC1.
What is the InChIKey of (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is AKDZJJGPNCLUIM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-12-9-21-19(22)18(24)14-6-10-23(11-7-14)13-15-3-2-4-17-16(15)5-8-20-17/h2-5,8-9,12,14,18,20,24H,6-7,10-11,13H2,1H3/t18-/m1/s1.
What are the key properties of (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 324.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124516631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).