[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol

C15H22N2O — CID 55039974

IUPAC[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22N2O/c1-12-10-13(11-18)2-5-15(12)17-8-6-16(7-9-17)14-3-4-14/h2,5,10,14,18H,3-4,6-9,11H2,1H3
InChIKeyJFIRVRDGWWXZOG-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.77
Rot. Bonds3

About [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol

[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol (PubChem CID 55039974) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
PubChem CID55039974
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22N2O/c1-12-10-13(11-18)2-5-15(12)17-8-6-16(7-9-17)14-3-4-14/h2,5,10,14,18H,3-4,6-9,11H2,1H3
InChIKeyJFIRVRDGWWXZOG-UHFFFAOYSA-N
XLogP1.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
CID 63170440
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]methanol
CID 62121729
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
1-[4-(bromomethyl)-2-methylphenyl]-4-piperidin-1-ylpiperidine
CID 107080827
[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
CID 114196611
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol?
The IUPAC name of [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol (CID 55039974) is [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol is Cc1cc(CO)ccc1N1CCN(C2CC2)CC1.
What is the InChIKey of [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol?
The InChIKey is JFIRVRDGWWXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-10-13(11-18)2-5-15(12)17-8-6-16(7-9-17)14-3-4-14/h2,5,10,14,18H,3-4,6-9,11H2,1H3.
What are the key properties of [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol?
[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol is sourced from PubChem (CID 55039974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).