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

C16H29N5O2 — CID 154737586

IUPAC1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCn1ccnc1CN1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C16H29N5O2/c1-18-3-2-17-16(18)14-20-6-4-19(5-7-20)12-15(22)13-21-8-10-23-11-9-21/h2-3,15,22H,4-14H2,1H3
InChIKeyULLKZDJOPGWMPY-UHFFFAOYSA-N
MW323.44 g/mol
LogP-0.77
Rot. Bonds6

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

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 154737586) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID154737586
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCn1ccnc1CN1CCN(CC(O)CN2CCOCC2)CC1
InChIInChI=1S/C16H29N5O2/c1-18-3-2-17-16(18)14-20-6-4-19(5-7-20)12-15(22)13-21-8-10-23-11-9-21/h2-3,15,22H,4-14H2,1H3
InChIKeyULLKZDJOPGWMPY-UHFFFAOYSA-N
XLogP-0.77
TPSA57.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-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

(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70719999
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
1-morpholin-4-yl-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111488990
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 154737586) is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is Cn1ccnc1CN1CCN(CC(O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ULLKZDJOPGWMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-18-3-2-17-16(18)14-20-6-4-19(5-7-20)12-15(22)13-21-8-10-23-11-9-21/h2-3,15,22H,4-14H2,1H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 323.44 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 154737586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).