2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol

C19H32N2O — CID 110898679

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCCCCN(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H32N2O/c1-3-4-12-20(2)15-17-10-13-21(14-11-17)16-19(22)18-8-6-5-7-9-18/h5-9,17,19,22H,3-4,10-16H2,1-2H3
InChIKeyPMRJQLIWCMFSPT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol (PubChem CID 110898679) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
PubChem CID110898679
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCCCCN(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H32N2O/c1-3-4-12-20(2)15-17-10-13-21(14-11-17)16-19(22)18-8-6-5-7-9-18/h5-9,17,19,22H,3-4,10-16H2,1-2H3
InChIKeyPMRJQLIWCMFSPT-UHFFFAOYSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 87014881
(3S,5R)-3-[[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 95291879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol (CID 110898679) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol is CCCCN(C)CC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is PMRJQLIWCMFSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-3-4-12-20(2)15-17-10-13-21(14-11-17)16-19(22)18-8-6-5-7-9-18/h5-9,17,19,22H,3-4,10-16H2,1-2H3.
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 304.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 110898679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).