1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol

C16H24N2O — CID 6456311

IUPAC1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
SMILESCN(C)c1ccc(/C=C/CN2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-17(2)15-7-5-14(6-8-15)4-3-11-18-12-9-16(19)10-13-18/h3-8,16,19H,9-13H2,1-2H3/b4-3+
InChIKeyBRDGMSZMLGXIQW-ONEGZZNKSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds4

About 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol

1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol (PubChem CID 6456311) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
PubChem CID6456311
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
SMILESCN(C)c1ccc(/C=C/CN2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-17(2)15-7-5-14(6-8-15)4-3-11-18-12-9-16(19)10-13-18/h3-8,16,19H,9-13H2,1-2H3/b4-3+
InChIKeyBRDGMSZMLGXIQW-ONEGZZNKSA-N
XLogP2.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol?
The IUPAC name of 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol (CID 6456311) is 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol is CN(C)c1ccc(/C=C/CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol?
The InChIKey is BRDGMSZMLGXIQW-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17(2)15-7-5-14(6-8-15)4-3-11-18-12-9-16(19)10-13-18/h3-8,16,19H,9-13H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol?
1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol has a molecular weight of 260.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 6456311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).