(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol

C23H30N2O2 — CID 3065726

IUPAC(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
SMILESCc1ccc(N2CCN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-10-12-19(13-11-18)24-14-16-25(17-15-24)21-8-5-9-22(23(21)26)27-20-6-3-2-4-7-20/h2-4,6-7,10-13,21-23,26H,5,8-9,14-17H2,1H3/t21-,22+,23+/m0/s1
InChIKeyAOLUZVRJNBBMDV-YTFSRNRJSA-N
MW366.50 g/mol
LogP3.48
Rot. Bonds4

About (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol

(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol (PubChem CID 3065726) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
PubChem CID3065726
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
SMILESCc1ccc(N2CCN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-10-12-19(13-11-18)24-14-16-25(17-15-24)21-8-5-9-22(23(21)26)27-20-6-3-2-4-7-20/h2-4,6-7,10-13,21-23,26H,5,8-9,14-17H2,1H3/t21-,22+,23+/m0/s1
InChIKeyAOLUZVRJNBBMDV-YTFSRNRJSA-N
XLogP3.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol?
The IUPAC name of (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol (CID 3065726) is (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol.
What is the SMILES notation for (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol?
The canonical SMILES for (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol is Cc1ccc(N2CCN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC2)cc1.
What is the InChIKey of (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol?
The InChIKey is AOLUZVRJNBBMDV-YTFSRNRJSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-10-12-19(13-11-18)24-14-16-25(17-15-24)21-8-5-9-22(23(21)26)27-20-6-3-2-4-7-20/h2-4,6-7,10-13,21-23,26H,5,8-9,14-17H2,1H3/t21-,22+,23+/m0/s1.
What are the key properties of (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol?
(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol has a molecular weight of 366.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol is sourced from PubChem (CID 3065726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).