2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol

C15H24N2O2 — CID 107711416

IUPAC2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCCN(C1CCCNC1)C(C)c1c(O)cccc1O
InChIInChI=1S/C15H24N2O2/c1-3-17(12-6-5-9-16-10-12)11(2)15-13(18)7-4-8-14(15)19/h4,7-8,11-12,16,18-19H,3,5-6,9-10H2,1-2H3
InChIKeyRPCDDAJUMPABPG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol

2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 107711416) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
PubChem CID107711416
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCCN(C1CCCNC1)C(C)c1c(O)cccc1O
InChIInChI=1S/C15H24N2O2/c1-3-17(12-6-5-9-16-10-12)11(2)15-13(18)7-4-8-14(15)19/h4,7-8,11-12,16,18-19H,3,5-6,9-10H2,1-2H3
InChIKeyRPCDDAJUMPABPG-UHFFFAOYSA-N
XLogP2.23
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
4-[1-[ethyl(piperidin-3-yl)amino]propyl]phenol
CID 63643806
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
CID 79413481

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol (CID 107711416) is 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol is CCN(C1CCCNC1)C(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is RPCDDAJUMPABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(12-6-5-9-16-10-12)11(2)15-13(18)7-4-8-14(15)19/h4,7-8,11-12,16,18-19H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol?
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 264.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).