1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol

C19H21N3O — CID 156898163

IUPAC1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
SMILESOC1(c2ccncc2)CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H21N3O/c23-19(16-5-9-20-10-6-16)7-11-22(12-8-19)14-17-13-15-3-1-2-4-18(15)21-17/h1-6,9-10,13,21,23H,7-8,11-12,14H2
InChIKeyCRWYBCBYGDFTGL-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds3

About 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol

1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol (PubChem CID 156898163) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
PubChem CID156898163
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
SMILESOC1(c2ccncc2)CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H21N3O/c23-19(16-5-9-20-10-6-16)7-11-22(12-8-19)14-17-13-15-3-1-2-4-18(15)21-17/h1-6,9-10,13,21,23H,7-8,11-12,14H2
InChIKeyCRWYBCBYGDFTGL-UHFFFAOYSA-N
XLogP3.05
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol (CID 156898163) is 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol is OC1(c2ccncc2)CCN(Cc2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?
The InChIKey is CRWYBCBYGDFTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(16-5-9-20-10-6-16)7-11-22(12-8-19)14-17-13-15-3-1-2-4-18(15)21-17/h1-6,9-10,13,21,23H,7-8,11-12,14H2.
What are the key properties of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?
1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol is sourced from PubChem (CID 156898163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).