(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol

C14H21FN2O — CID 79659157

IUPAC(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2CN(C)CCN2C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10-8-11(4-5-12(10)15)14(18)13-9-16(2)6-7-17(13)3/h4-5,8,13-14,18H,6-7,9H2,1-3H3
InChIKeyYPKAALYEULTJLV-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.41
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol

(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 79659157) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID79659157
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2CN(C)CCN2C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10-8-11(4-5-12(10)15)14(18)13-9-16(2)6-7-17(13)3/h4-5,8,13-14,18H,6-7,9H2,1-3H3
InChIKeyYPKAALYEULTJLV-UHFFFAOYSA-N
XLogP1.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288531
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
(1,4-dimethyl-1,4-diazepan-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104738105
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol (CID 79659157) is (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2CN(C)CCN2C)ccc1F.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is YPKAALYEULTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-8-11(4-5-12(10)15)14(18)13-9-16(2)6-7-17(13)3/h4-5,8,13-14,18H,6-7,9H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol?
(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 252.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 79659157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).