4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol

C16H26N2O — CID 55203597

IUPAC4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCc1ccc(O)c(CNCCCN2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-14-6-7-16(19)15(12-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17,19H,2-5,8-11,13H2,1H3
InChIKeyVGIRGIDOSRSHLT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds6

About 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol

4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol (PubChem CID 55203597) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
PubChem CID55203597
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCc1ccc(O)c(CNCCCN2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-14-6-7-16(19)15(12-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17,19H,2-5,8-11,13H2,1H3
InChIKeyVGIRGIDOSRSHLT-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
4-chloro-2-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 28679958
N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728
2,4-diiodo-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 119041326
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313
5-[(2-hydroxy-5-methylphenyl)methylamino]pentanenitrile
CID 115625650
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol (CID 55203597) is 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol is Cc1ccc(O)c(CNCCCN2CCCCC2)c1.
What is the InChIKey of 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The InChIKey is VGIRGIDOSRSHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-6-7-16(19)15(12-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17,19H,2-5,8-11,13H2,1H3.
What are the key properties of 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol?
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 55203597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).