[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol

C18H23N3O — CID 74237692

IUPAC[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3CO)nc2)CC1
InChIInChI=1S/C18H23N3O/c1-20-8-10-21(11-9-20)13-15-6-7-18(19-12-15)17-5-3-2-4-16(17)14-22/h2-7,12,22H,8-11,13-14H2,1H3
InChIKeyDCPMSIFUORBVFU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.99
Rot. Bonds4

About [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol

[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol (PubChem CID 74237692) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
PubChem CID74237692
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3CO)nc2)CC1
InChIInChI=1S/C18H23N3O/c1-20-8-10-21(11-9-20)13-15-6-7-18(19-12-15)17-5-3-2-4-16(17)14-22/h2-7,12,22H,8-11,13-14H2,1H3
InChIKeyDCPMSIFUORBVFU-UHFFFAOYSA-N
XLogP1.99
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol (CID 74237692) is [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol is CN1CCN(Cc2ccc(-c3ccccc3CO)nc2)CC1.
What is the InChIKey of [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol?
The InChIKey is DCPMSIFUORBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-8-10-21(11-9-20)13-15-6-7-18(19-12-15)17-5-3-2-4-16(17)14-22/h2-7,12,22H,8-11,13-14H2,1H3.
What are the key properties of [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol?
[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol has a molecular weight of 297.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 74237692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).