(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

C20H32N2O2 — CID 696962

IUPAC(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(C[C@H](O)COC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3/t19-/m0/s1
InChIKeyUXUFAUJVKULPJG-IBGZPJMESA-N
MW332.49 g/mol
LogP2.83
Rot. Bonds6

About (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 696962) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID696962
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(C[C@H](O)COC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3/t19-/m0/s1
InChIKeyUXUFAUJVKULPJG-IBGZPJMESA-N
XLogP2.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 44785164
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
(2S)-1-cyclopentyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 42588080
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 16798753
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (CID 696962) is (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccc(N2CCN(C[C@H](O)COC3CCCCC3)CC2)cc1.
What is the InChIKey of (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is UXUFAUJVKULPJG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 696962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).