3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol

C22H36N2O2 — CID 70749351

IUPAC3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C22H36N2O2/c1-18(2)14-22(25)21-6-8-23(9-7-21)16-19-4-3-5-20(15-19)17-24-10-12-26-13-11-24/h3-5,15,18,21-22,25H,6-14,16-17H2,1-2H3
InChIKeyCDURCNRYHAVQOT-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.14
Rot. Bonds7

About 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol

3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol (PubChem CID 70749351) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
PubChem CID70749351
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C22H36N2O2/c1-18(2)14-22(25)21-6-8-23(9-7-21)16-19-4-3-5-20(15-19)17-24-10-12-26-13-11-24/h3-5,15,18,21-22,25H,6-14,16-17H2,1-2H3
InChIKeyCDURCNRYHAVQOT-UHFFFAOYSA-N
XLogP3.14
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol with MolForge

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Related Compounds

4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
CID 86782658
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol?
The IUPAC name of 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol (CID 70749351) is 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol is CC(C)CC(O)C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1.
What is the InChIKey of 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol?
The InChIKey is CDURCNRYHAVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-18(2)14-22(25)21-6-8-23(9-7-21)16-19-4-3-5-20(15-19)17-24-10-12-26-13-11-24/h3-5,15,18,21-22,25H,6-14,16-17H2,1-2H3.
What are the key properties of 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol?
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol has a molecular weight of 360.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol is sourced from PubChem (CID 70749351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).