2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol

C14H22N2O — CID 56771251

IUPAC2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(17)10-16-7-5-13(15)6-8-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3
InChIKeyQVGWFFOBVGYEMX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol

2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol (PubChem CID 56771251) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
PubChem CID56771251
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(17)10-16-7-5-13(15)6-8-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3
InChIKeyQVGWFFOBVGYEMX-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
CID 111457377
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol (CID 56771251) is 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CN2CCC(N)CC2)c1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is QVGWFFOBVGYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(17)10-16-7-5-13(15)6-8-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol?
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 56771251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).