1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol

C18H30N2O — CID 106836685

IUPAC1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-14(21)16-9-11-20(12-10-16)17-7-5-15(6-8-17)13-19-18(2,3)4/h5-8,14,16,19,21H,9-13H2,1-4H3
InChIKeyWDXPSCVXZNBSQR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.17
Rot. Bonds4

About 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol

1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol (PubChem CID 106836685) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
PubChem CID106836685
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-14(21)16-9-11-20(12-10-16)17-7-5-15(6-8-17)13-19-18(2,3)4/h5-8,14,16,19,21H,9-13H2,1-4H3
InChIKeyWDXPSCVXZNBSQR-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.17
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'}

Analyze 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058487
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63069986
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63059898
1-[1-[4-[(2-methoxyethylamino)methyl]phenyl]pyrrolidin-3-yl]ethanol
CID 115965705
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
CID 155109476
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol (CID 106836685) is 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The InChIKey is WDXPSCVXZNBSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(21)16-9-11-20(12-10-16)17-7-5-15(6-8-17)13-19-18(2,3)4/h5-8,14,16,19,21H,9-13H2,1-4H3.
What are the key properties of 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol?
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).