1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol

C23H35N5O3 — CID 172667510

IUPAC1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OCC(O)CN1CCNCC1
InChIInChI=1S/C23H35N5O3/c1-30-22-14-18(15-27-10-4-19(5-11-27)23-25-6-7-26-23)2-3-21(22)31-17-20(29)16-28-12-8-24-9-13-28/h2-3,6-7,14,19-20,24,29H,4-5,8-13,15-17H2,1H3,(H,25,26)
InChIKeyQIOKJIKHIAXAOQ-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.44
Rot. Bonds9

About 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol

1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol (PubChem CID 172667510) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol
PubChem CID172667510
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OCC(O)CN1CCNCC1
InChIInChI=1S/C23H35N5O3/c1-30-22-14-18(15-27-10-4-19(5-11-27)23-25-6-7-26-23)2-3-21(22)31-17-20(29)16-28-12-8-24-9-13-28/h2-3,6-7,14,19-20,24,29H,4-5,8-13,15-17H2,1H3,(H,25,26)
InChIKeyQIOKJIKHIAXAOQ-UHFFFAOYSA-N
XLogP1.44
TPSA85.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-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

1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-4-(piperazin-1-ylmethyl)phenoxy]propan-2-ol
CID 172665918
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[(2R)-3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97273948
1-[3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 72869940
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
1-[4-[(4-aminopiperidin-1-yl)methyl]-2-methoxyphenoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol;dihydrochloride
CID 172909838
1-(azocan-1-yl)-3-[4-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45203017
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-[4-(1,4-diazepan-1-ylmethyl)-2-methoxyphenoxy]propan-2-ol;acetic acid
CID 172911888

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol (CID 172667510) is 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol is COc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OCC(O)CN1CCNCC1.
What is the InChIKey of 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is QIOKJIKHIAXAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-30-22-14-18(15-27-10-4-19(5-11-27)23-25-6-7-26-23)2-3-21(22)31-17-20(29)16-28-12-8-24-9-13-28/h2-3,6-7,14,19-20,24,29H,4-5,8-13,15-17H2,1H3,(H,25,26).
What are the key properties of 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol?
1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 429.57 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 172667510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).