4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol

C17H28N2O2 — CID 79696967

IUPAC4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(O)cc1O
InChIInChI=1S/C17H28N2O2/c1-3-10-19(12-14-6-8-18-9-7-14)13(2)16-5-4-15(20)11-17(16)21/h4-5,11,13-14,18,20-21H,3,6-10,12H2,1-2H3
InChIKeyRWTLHZZQXRHBAU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds6

About 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol

4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol (PubChem CID 79696967) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
PubChem CID79696967
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(O)cc1O
InChIInChI=1S/C17H28N2O2/c1-3-10-19(12-14-6-8-18-9-7-14)13(2)16-5-4-15(20)11-17(16)21/h4-5,11,13-14,18,20-21H,3,6-10,12H2,1-2H3
InChIKeyRWTLHZZQXRHBAU-UHFFFAOYSA-N
XLogP2.87
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol (CID 79696967) is 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol is CCCN(CC1CCNCC1)C(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is RWTLHZZQXRHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-10-19(12-14-6-8-18-9-7-14)13(2)16-5-4-15(20)11-17(16)21/h4-5,11,13-14,18,20-21H,3,6-10,12H2,1-2H3.
What are the key properties of 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol?
4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 292.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 79696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).