[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C17H23N3O — CID 53193332

IUPAC[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCn1cccc1CN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C17H23N3O/c1-19-10-4-5-15(19)13-20-11-7-14(8-12-20)17(21)16-6-2-3-9-18-16/h2-6,9-10,14,17,21H,7-8,11-13H2,1H3
InChIKeyIQHBBAGXFVVIBZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds4

About [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 53193332) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID53193332
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCn1cccc1CN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C17H23N3O/c1-19-10-4-5-15(19)13-20-11-7-14(8-12-20)17(21)16-6-2-3-9-18-16/h2-6,9-10,14,17,21H,7-8,11-13H2,1H3
InChIKeyIQHBBAGXFVVIBZ-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 53193332) is [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cn1cccc1CN1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is IQHBBAGXFVVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-10-4-5-15(19)13-20-11-7-14(8-12-20)17(21)16-6-2-3-9-18-16/h2-6,9-10,14,17,21H,7-8,11-13H2,1H3.
What are the key properties of [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 285.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 53193332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).