1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol

C15H25N3O — CID 82020204

IUPAC1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
SMILESCN(C)c1ccc(C(CN)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-17(2)13-5-3-12(4-6-13)15(11-16)18-9-7-14(19)8-10-18/h3-6,14-15,19H,7-11,16H2,1-2H3
InChIKeyOFZGBSAMTOHHBN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol

1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol (PubChem CID 82020204) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
PubChem CID82020204
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
SMILESCN(C)c1ccc(C(CN)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-17(2)13-5-3-12(4-6-13)15(11-16)18-9-7-14(19)8-10-18/h3-6,14-15,19H,7-11,16H2,1-2H3
InChIKeyOFZGBSAMTOHHBN-UHFFFAOYSA-N
XLogP1.21
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977871
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol (CID 82020204) is 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol is CN(C)c1ccc(C(CN)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol?
The InChIKey is OFZGBSAMTOHHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)13-5-3-12(4-6-13)15(11-16)18-9-7-14(19)8-10-18/h3-6,14-15,19H,7-11,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol?
1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 82020204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).