1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

C19H31N3O2 — CID 3817099

IUPAC1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cccc(CN2CCN(CC(O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-17-3-2-4-18(13-17)14-20-5-7-21(8-6-20)15-19(23)16-22-9-11-24-12-10-22/h2-4,13,19,23H,5-12,14-16H2,1H3
InChIKeyOHGNVYANVRAHRW-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.81
Rot. Bonds6

About 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 3817099) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID3817099
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cccc(CN2CCN(CC(O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-17-3-2-4-18(13-17)14-20-5-7-21(8-6-20)15-19(23)16-22-9-11-24-12-10-22/h2-4,13,19,23H,5-12,14-16H2,1H3
InChIKeyOHGNVYANVRAHRW-UHFFFAOYSA-N
XLogP0.81
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95316342
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 2139548

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 3817099) is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is Cc1cccc(CN2CCN(CC(O)CN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OHGNVYANVRAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-17-3-2-4-18(13-17)14-20-5-7-21(8-6-20)15-19(23)16-22-9-11-24-12-10-22/h2-4,13,19,23H,5-12,14-16H2,1H3.
What are the key properties of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 333.48 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 3817099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).