[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol

C15H24N2O — CID 43590379

IUPAC[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCNC(C)c1ccc(N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H24N2O/c1-12(16-2)14-5-7-15(8-6-14)17-9-3-4-13(10-17)11-18/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyPUHVRMLOVMWNPP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.18
Rot. Bonds4

About [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol

[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol (PubChem CID 43590379) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
PubChem CID43590379
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCNC(C)c1ccc(N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H24N2O/c1-12(16-2)14-5-7-15(8-6-14)17-9-3-4-13(10-17)11-18/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyPUHVRMLOVMWNPP-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.18
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

[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
2-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227771
2-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227793
N-methyl-1-[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973065
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol (CID 43590379) is [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol is CNC(C)c1ccc(N2CCCC(CO)C2)cc1.
What is the InChIKey of [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The InChIKey is PUHVRMLOVMWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16-2)14-5-7-15(8-6-14)17-9-3-4-13(10-17)11-18/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of [1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.18, 4 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-3-yl]methanol is sourced from PubChem (CID 43590379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).