[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol

C13H21N3O — CID 81238726

IUPAC[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCC(C)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C13H21N3O/c1-11(2)15-5-7-16(8-6-15)13-3-4-14-9-12(13)10-17/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyNPJMHQCCPYWWNX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.10
Rot. Bonds3

About [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol

[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol (PubChem CID 81238726) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
PubChem CID81238726
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCC(C)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C13H21N3O/c1-11(2)15-5-7-16(8-6-15)13-3-4-14-9-12(13)10-17/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyNPJMHQCCPYWWNX-UHFFFAOYSA-N
XLogP1.10
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol (CID 81238726) is [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol is CC(C)N1CCN(c2ccncc2CO)CC1.
What is the InChIKey of [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol?
The InChIKey is NPJMHQCCPYWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)15-5-7-16(8-6-15)13-3-4-14-9-12(13)10-17/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol?
[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 81238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).