[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol

C17H28N2O — CID 62121881

IUPAC[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
SMILESCCCNCc1ccc(N2CCCCC2CO)c(C)c1
InChIInChI=1S/C17H28N2O/c1-3-9-18-12-15-7-8-17(14(2)11-15)19-10-5-4-6-16(19)13-20/h7-8,11,16,18,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGICRQOZKHDLWJX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.85
Rot. Bonds6

About [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol

[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol (PubChem CID 62121881) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
PubChem CID62121881
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
SMILESCCCNCc1ccc(N2CCCCC2CO)c(C)c1
InChIInChI=1S/C17H28N2O/c1-3-9-18-12-15-7-8-17(14(2)11-15)19-10-5-4-6-16(19)13-20/h7-8,11,16,18,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGICRQOZKHDLWJX-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
4-[2-(hydroxymethyl)piperidin-1-yl]-3-methylbenzaldehyde
CID 62122634
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]piperidin-2-yl]methanol
CID 81147829
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylphenyl]methyl]propan-1-amine
CID 115560709
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidin-2-yl]methanol
CID 61407782
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol (CID 62121881) is [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol is CCCNCc1ccc(N2CCCCC2CO)c(C)c1.
What is the InChIKey of [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol?
The InChIKey is GICRQOZKHDLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-18-12-15-7-8-17(14(2)11-15)19-10-5-4-6-16(19)13-20/h7-8,11,16,18,20H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol?
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62121881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).