1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol

C16H26N2O2 — CID 154706324

IUPAC1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCc1cccc(CNC(CO)CN2CCC(O)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-13-3-2-4-14(9-13)10-17-15(12-19)11-18-7-5-16(20)6-8-18/h2-4,9,15-17,19-20H,5-8,10-12H2,1H3
InChIKeyWKJRZWSTFZGBNZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.90
Rot. Bonds6

About 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol

1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 154706324) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol
PubChem CID154706324
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCc1cccc(CNC(CO)CN2CCC(O)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-13-3-2-4-14(9-13)10-17-15(12-19)11-18-7-5-16(20)6-8-18/h2-4,9,15-17,19-20H,5-8,10-12H2,1H3
InChIKeyWKJRZWSTFZGBNZ-UHFFFAOYSA-N
XLogP0.90
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol (CID 154706324) is 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol is Cc1cccc(CNC(CO)CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is WKJRZWSTFZGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-3-2-4-14(9-13)10-17-15(12-19)11-18-7-5-16(20)6-8-18/h2-4,9,15-17,19-20H,5-8,10-12H2,1H3.
What are the key properties of 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol?
1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-[(3-methylphenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 154706324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).