(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol

C14H28N2O2 — CID 30726287

IUPAC(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(C[C@H](O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O2/c1-2-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-4-6-14/h13-14,17H,2-12H2,1H3/t13-/m0/s1
InChIKeyKKXMVFDQPHMAIG-ZDUSSCGKSA-N
MW256.39 g/mol
LogP0.94
Rot. Bonds6

About (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol

(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol (PubChem CID 30726287) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
PubChem CID30726287
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(C[C@H](O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O2/c1-2-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-4-6-14/h13-14,17H,2-12H2,1H3/t13-/m0/s1
InChIKeyKKXMVFDQPHMAIG-ZDUSSCGKSA-N
XLogP0.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
1-cyclohexyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 44782571
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 696962
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
CID 2930774
1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 62991174
1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
CID 21237566
(2R)-1-(4-ethylpiperazin-1-yl)-3-[[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760850
ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
CID 7058807

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol (CID 30726287) is (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol is CCN1CCN(C[C@H](O)COC2CCCC2)CC1.
What is the InChIKey of (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The InChIKey is KKXMVFDQPHMAIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-4-6-14/h13-14,17H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 30726287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).