1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol

C15H25N3O — CID 82303443

IUPAC1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H25N3O/c1-16-12-15(19)8-10-18(11-9-15)14-6-4-13(5-7-14)17(2)3/h4-7,16,19H,8-12H2,1-3H3
InChIKeyWLRVEUYUOWBOPB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.30
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol

1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 82303443) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID82303443
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H25N3O/c1-16-12-15(19)8-10-18(11-9-15)14-6-4-13(5-7-14)17(2)3/h4-7,16,19H,8-12H2,1-3H3
InChIKeyWLRVEUYUOWBOPB-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol (CID 82303443) is 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is WLRVEUYUOWBOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-12-15(19)8-10-18(11-9-15)14-6-4-13(5-7-14)17(2)3/h4-7,16,19H,8-12H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 82303443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).