2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol

C15H25N3O — CID 28656653

IUPAC2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
SMILESCN1CCN(CCCNCc2ccccc2O)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-4-7-16-13-14-5-2-3-6-15(14)19/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyLIUMXZPNZPEQRR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.12
Rot. Bonds6

About 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol

2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol (PubChem CID 28656653) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
PubChem CID28656653
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
SMILESCN1CCN(CCCNCc2ccccc2O)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-4-7-16-13-14-5-2-3-6-15(14)19/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyLIUMXZPNZPEQRR-UHFFFAOYSA-N
XLogP1.12
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 115924245
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
2-[2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109310
N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115761559
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66411495

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol?
The IUPAC name of 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol (CID 28656653) is 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol.
What is the SMILES notation for 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol?
The canonical SMILES for 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol is CN1CCN(CCCNCc2ccccc2O)CC1.
What is the InChIKey of 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol?
The InChIKey is LIUMXZPNZPEQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-4-7-16-13-14-5-2-3-6-15(14)19/h2-3,5-6,16,19H,4,7-13H2,1H3.
What are the key properties of 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol?
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol is sourced from PubChem (CID 28656653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).