1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol

C17H28N2O — CID 82136088

IUPAC1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2C(C)CCCC2C)cc1N
InChIInChI=1S/C17H28N2O/c1-12-7-8-15(11-16(12)18)17(20)9-10-19-13(2)5-4-6-14(19)3/h7-8,11,13-14,17,20H,4-6,9-10,18H2,1-3H3
InChIKeyYGSDYYUUKRFKRR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol

1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol (PubChem CID 82136088) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
PubChem CID82136088
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2C(C)CCCC2C)cc1N
InChIInChI=1S/C17H28N2O/c1-12-7-8-15(11-16(12)18)17(20)9-10-19-13(2)5-4-6-14(19)3/h7-8,11,13-14,17,20H,4-6,9-10,18H2,1-3H3
InChIKeyYGSDYYUUKRFKRR-UHFFFAOYSA-N
XLogP3.26
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indol-7-yl)-methanol
CID 20824946
1-p-Aminophenyl-2-(4-benzyl-piperidin-1-yl)-propan-1-ol
CID 22449936
1-(3-Aminophenyl)-2-(dimethylamino)ethan-1-ol
CID 59748
(2-Amino-4-methylphenyl)(2-((dimethylamino)methyl)phenyl)methanol
CID 44408529
2-((2-((Dimethylamino)methyl)phenyl)(methoxy)methyl)-5-methylbenzenamine
CID 44408580
Benzyl alcohol, m-amino-alpha-((ethylmethylamino)methyl)-
CID 59801
Benzyl alcohol, m-amino-alpha-((isopropylmethylamino)methyl)-
CID 60028
Benzyl alcohol, m-amino-alpha-((methylpropylamino)methyl)-
CID 60029
Benzyl alcohol, m-amino-alpha-((butylmethylamino)methyl)-
CID 60163
Benzyl alcohol, m-amino-alpha-((methylpentylamino)methyl)-
CID 60258
1-Piperidinepropanol, alpha-(4'-amino-4-biphenylyl)-, hydrochloride
CID 3039657

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol (CID 82136088) is 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol is Cc1ccc(C(O)CCN2C(C)CCCC2C)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is YGSDYYUUKRFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-7-8-15(11-16(12)18)17(20)9-10-19-13(2)5-4-6-14(19)3/h7-8,11,13-14,17,20H,4-6,9-10,18H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol?
1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).