1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride

C20H33ClN2O2 — CID 6603682

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CN2CCN(C3CCCCC3)CC2)c1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-17-6-5-9-20(14-17)24-16-19(23)15-21-10-12-22(13-11-21)18-7-3-2-4-8-18;/h5-6,9,14,18-19,23H,2-4,7-8,10-13,15-16H2,1H3;1H
InChIKeyVUOOSVWHOJWQIL-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.11
Rot. Bonds6

About 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride

1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 6603682) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID6603682
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CN2CCN(C3CCCCC3)CC2)c1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-17-6-5-9-20(14-17)24-16-19(23)15-21-10-12-22(13-11-21)18-7-3-2-4-8-18;/h5-6,9,14,18-19,23H,2-4,7-8,10-13,15-16H2,1H3;1H
InChIKeyVUOOSVWHOJWQIL-UHFFFAOYSA-N
XLogP3.11
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (CID 6603682) is 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride is Cc1cccc(OCC(O)CN2CCN(C3CCCCC3)CC2)c1.Cl.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is VUOOSVWHOJWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-17-6-5-9-20(14-17)24-16-19(23)15-21-10-12-22(13-11-21)18-7-3-2-4-8-18;/h5-6,9,14,18-19,23H,2-4,7-8,10-13,15-16H2,1H3;1H.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 6603682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).