(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol

C15H30N2O3 — CID 51621871

IUPAC(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
SMILESC[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H30N2O3/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18/h13-15,18-19H,2-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyCYSUXZOTEMFZIJ-RBSFLKMASA-N
MW286.42 g/mol
LogP0.16
Rot. Bonds7

About (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol (PubChem CID 51621871) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
PubChem CID51621871
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
SMILESC[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H30N2O3/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18/h13-15,18-19H,2-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyCYSUXZOTEMFZIJ-RBSFLKMASA-N
XLogP0.16
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclopentyl]oxypropyl]piperazine-1-carboxylate
CID 29132274
(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol
CID 140917659
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 41435362
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1S,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 42584575
(2S)-1-[bis(2-hydroxyethyl)amino]-3-[(1S,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 42584527
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 97287019
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
1-(4-cyclohexylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44787153

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol (CID 51621871) is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol is C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(CCO)CC1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol?
The InChIKey is CYSUXZOTEMFZIJ-RBSFLKMASA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18/h13-15,18-19H,2-12H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol?
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol is sourced from PubChem (CID 51621871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).