[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol

C15H23N3O — CID 61445464

IUPAC[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)16-15(14(11)10-19)18-7-5-17(6-8-18)13-3-4-13/h9,13,19H,3-8,10H2,1-2H3
InChIKeyYRANOMOEORFQLB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.48
Rot. Bonds3

About [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol

[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61445464) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61445464
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)16-15(14(11)10-19)18-7-5-17(6-8-18)13-3-4-13/h9,13,19H,3-8,10H2,1-2H3
InChIKeyYRANOMOEORFQLB-UHFFFAOYSA-N
XLogP1.48
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol (CID 61445464) is [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is YRANOMOEORFQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(2)16-15(14(11)10-19)18-7-5-17(6-8-18)13-3-4-13/h9,13,19H,3-8,10H2,1-2H3.
What are the key properties of [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol?
[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 261.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61445464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).