4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol

C16H24N2O2 — CID 43747094

IUPAC4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O2/c1-11(15-5-4-14(19)10-16(15)20)17-12-6-8-18(9-7-12)13-2-3-13/h4-5,10-13,17,19-20H,2-3,6-9H2,1H3
InChIKeyXQMJTJPRRRAIFS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol

4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 43747094) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
PubChem CID43747094
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC1CCN(C2CC2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O2/c1-11(15-5-4-14(19)10-16(15)20)17-12-6-8-18(9-7-12)13-2-3-13/h4-5,10-13,17,19-20H,2-3,6-9H2,1H3
InChIKeyXQMJTJPRRRAIFS-UHFFFAOYSA-N
XLogP2.38
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol 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

2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
tert-butyl 3-[1-(2,4-dihydroxyphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239371
1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
CID 103776460
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
CID 43204126
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
5-methyl-2-[1-(thian-4-ylamino)ethyl]phenol
CID 104583138
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol (CID 43747094) is 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol is CC(NC1CCN(C2CC2)CC1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is XQMJTJPRRRAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(15-5-4-14(19)10-16(15)20)17-12-6-8-18(9-7-12)13-2-3-13/h4-5,10-13,17,19-20H,2-3,6-9H2,1H3.
What are the key properties of 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol?
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 276.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 43747094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).