[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol

C19H25N3O — CID 46982833

IUPAC[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
SMILESCc1cccc(CN2CCN(Cc3ccccc3CO)CC2)n1
InChIInChI=1S/C19H25N3O/c1-16-5-4-8-19(20-16)14-22-11-9-21(10-12-22)13-17-6-2-3-7-18(17)15-23/h2-8,23H,9-15H2,1H3
InChIKeyPHKUQRPSIPHVBB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.20
Rot. Bonds5

About [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol

[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 46982833) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
PubChem CID46982833
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
SMILESCc1cccc(CN2CCN(Cc3ccccc3CO)CC2)n1
InChIInChI=1S/C19H25N3O/c1-16-5-4-8-19(20-16)14-22-11-9-21(10-12-22)13-17-6-2-3-7-18(17)15-23/h2-8,23H,9-15H2,1H3
InChIKeyPHKUQRPSIPHVBB-UHFFFAOYSA-N
XLogP2.20
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol (CID 46982833) is [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol is Cc1cccc(CN2CCN(Cc3ccccc3CO)CC2)n1.
What is the InChIKey of [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is PHKUQRPSIPHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-5-4-8-19(20-16)14-22-11-9-21(10-12-22)13-17-6-2-3-7-18(17)15-23/h2-8,23H,9-15H2,1H3.
What are the key properties of [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 311.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 46982833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).