1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol

C14H22N2O — CID 43284297

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
SMILESCNC(C)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15-2)12-3-5-13(6-4-12)16-9-7-14(17)8-10-16/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyPPYXIFIUZLCEJS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol

1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol (PubChem CID 43284297) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
PubChem CID43284297
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
SMILESCNC(C)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15-2)12-3-5-13(6-4-12)16-9-7-14(17)8-10-16/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyPPYXIFIUZLCEJS-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
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

N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122210
1-(4-pentan-2-ylphenyl)piperidin-4-ol
CID 166926420
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-methylethanamine
CID 107455784

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol (CID 43284297) is 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol is CNC(C)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol?
The InChIKey is PPYXIFIUZLCEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15-2)12-3-5-13(6-4-12)16-9-7-14(17)8-10-16/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol?
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 43284297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).