1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol

C15H24N2O — CID 106836651

IUPAC1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCNCc1ccc(N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)14-7-9-17(10-8-14)15-5-3-13(4-6-15)11-16-2/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyONCFTOIVDNVLET-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds4

About 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol

1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 106836651) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID106836651
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCNCc1ccc(N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)14-7-9-17(10-8-14)15-5-3-13(4-6-15)11-16-2/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyONCFTOIVDNVLET-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
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

1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol
CID 115965705
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 62368802
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
CID 64599616
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
1-butan-2-yl-2-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine
CID 111545055
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol (CID 106836651) is 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol is CNCc1ccc(N2CCC(C(C)O)CC2)cc1.
What is the InChIKey of 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is ONCFTOIVDNVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)14-7-9-17(10-8-14)15-5-3-13(4-6-15)11-16-2/h3-6,12,14,16,18H,7-11H2,1-2H3.
What are the key properties of 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol?
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).