1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol

C21H36N2O2 — CID 87014881

IUPAC1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCCCCN(C)CC1CCN(CC(O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C21H36N2O2/c1-4-5-12-22(3)15-19-10-13-23(14-11-19)16-20(24)17-25-21-8-6-18(2)7-9-21/h6-9,19-20,24H,4-5,10-17H2,1-3H3
InChIKeyDYCOCBGTDSZOLU-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.18
Rot. Bonds10

About 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol

1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 87014881) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
PubChem CID87014881
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCCCCN(C)CC1CCN(CC(O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C21H36N2O2/c1-4-5-12-22(3)15-19-10-13-23(14-11-19)16-20(24)17-25-21-8-6-18(2)7-9-21/h6-9,19-20,24H,4-5,10-17H2,1-3H3
InChIKeyDYCOCBGTDSZOLU-UHFFFAOYSA-N
XLogP3.18
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
(2S)-1-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97274554
(2R)-1-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97274555
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol (CID 87014881) is 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol is CCCCN(C)CC1CCN(CC(O)COc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is DYCOCBGTDSZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-4-5-12-22(3)15-19-10-13-23(14-11-19)16-20(24)17-25-21-8-6-18(2)7-9-21/h6-9,19-20,24H,4-5,10-17H2,1-3H3.
What are the key properties of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 348.53 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 87014881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).