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

C15H24N2O — CID 43505995

IUPAC1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-4-6-14(7-5-13)17(3)15-8-10-16(2)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyDLKISECBOXCTPL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds3

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

1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol (PubChem CID 43505995) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
PubChem CID43505995
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-4-6-14(7-5-13)17(3)15-8-10-16(2)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyDLKISECBOXCTPL-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
CID 63371082
2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 83971897
1-[4-(1-methylpiperidin-4-yl)phenyl]ethanol
CID 58103926
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 113320538
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol (CID 43505995) is 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol is CC(O)c1ccc(N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
The InChIKey is DLKISECBOXCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)13-4-6-14(7-5-13)17(3)15-8-10-16(2)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3.
What are the key properties of 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol?
1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 43505995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).