2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol

C16H28N4O — CID 104534823

IUPAC2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
SMILESCCCNc1cncc(N2CCN(CC(C)(C)O)CC2)c1
InChIInChI=1S/C16H28N4O/c1-4-5-18-14-10-15(12-17-11-14)20-8-6-19(7-9-20)13-16(2,3)21/h10-12,18,21H,4-9,13H2,1-3H3
InChIKeyYLGUDZVAOURCHJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.80
Rot. Bonds6

About 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol

2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol (PubChem CID 104534823) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
PubChem CID104534823
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
SMILESCCCNc1cncc(N2CCN(CC(C)(C)O)CC2)c1
InChIInChI=1S/C16H28N4O/c1-4-5-18-14-10-15(12-17-11-14)20-8-6-19(7-9-20)13-16(2,3)21/h10-12,18,21H,4-9,13H2,1-3H3
InChIKeyYLGUDZVAOURCHJ-UHFFFAOYSA-N
XLogP1.80
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol (CID 104534823) is 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol is CCCNc1cncc(N2CCN(CC(C)(C)O)CC2)c1.
What is the InChIKey of 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol?
The InChIKey is YLGUDZVAOURCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-5-18-14-10-15(12-17-11-14)20-8-6-19(7-9-20)13-16(2,3)21/h10-12,18,21H,4-9,13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol has a molecular weight of 292.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 104534823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).