[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol

C17H29N3O — CID 110009684

IUPAC[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
SMILESCN1CCN(CCCN(C)Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-18-10-12-20(13-11-18)9-3-8-19(2)14-16-4-6-17(15-21)7-5-16/h4-7,21H,3,8-15H2,1-2H3
InChIKeyXDWZLFRVVAZQAF-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.25
Rot. Bonds7

About [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol

[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol (PubChem CID 110009684) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
PubChem CID110009684
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
SMILESCN1CCN(CCCN(C)Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-18-10-12-20(13-11-18)9-3-8-19(2)14-16-4-6-17(15-21)7-5-16/h4-7,21H,3,8-15H2,1-2H3
InChIKeyXDWZLFRVVAZQAF-UHFFFAOYSA-N
XLogP1.25
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol (CID 110009684) is [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol is CN1CCN(CCCN(C)Cc2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol?
The InChIKey is XDWZLFRVVAZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-18-10-12-20(13-11-18)9-3-8-19(2)14-16-4-6-17(15-21)7-5-16/h4-7,21H,3,8-15H2,1-2H3.
What are the key properties of [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol?
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).