2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol

C16H27N3O — CID 83971897

IUPAC2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
SMILESCNCC(O)c1ccc(N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N3O/c1-17-12-16(20)13-4-6-14(7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,15-17,20H,8-12H2,1-3H3
InChIKeyBGBNDDKYDDLYQE-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.47
Rot. Bonds5

About 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol

2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol (PubChem CID 83971897) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
PubChem CID83971897
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
SMILESCNCC(O)c1ccc(N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N3O/c1-17-12-16(20)13-4-6-14(7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,15-17,20H,8-12H2,1-3H3
InChIKeyBGBNDDKYDDLYQE-UHFFFAOYSA-N
XLogP1.47
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 43505995
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117408766
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
2-(methylamino)-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)ethanol
CID 83832989

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol (CID 83971897) is 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol is CNCC(O)c1ccc(N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The InChIKey is BGBNDDKYDDLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-12-16(20)13-4-6-14(7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,15-17,20H,8-12H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 83971897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).