(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol

C15H24N2O — CID 78939752

IUPAC(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-4-6-15(7-5-13)17-10-8-14(9-11-17)16(2)3/h4-7,12,14,18H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyGEEZRMJEHCNDIM-GFCCVEGCSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds3

About (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol

(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol (PubChem CID 78939752) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
PubChem CID78939752
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-4-6-15(7-5-13)17-10-8-14(9-11-17)16(2)3/h4-7,12,14,18H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyGEEZRMJEHCNDIM-GFCCVEGCSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol (CID 78939752) is (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol is C[C@@H](O)c1ccc(N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The InChIKey is GEEZRMJEHCNDIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)13-4-6-15(7-5-13)17-10-8-14(9-11-17)16(2)3/h4-7,12,14,18H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 78939752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).