2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol

C19H31N3O — CID 23723426

IUPAC2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCc1ccc(N2CCC(N3CCN(C)C(CCO)C3)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-16-3-5-17(6-4-16)21-10-7-18(8-11-21)22-13-12-20(2)19(15-22)9-14-23/h3-6,18-19,23H,7-15H2,1-2H3
InChIKeyGBIPULBTABSEIZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.96
Rot. Bonds4

About 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol

2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 23723426) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
PubChem CID23723426
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCc1ccc(N2CCC(N3CCN(C)C(CCO)C3)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-16-3-5-17(6-4-16)21-10-7-18(8-11-21)22-13-12-20(2)19(15-22)9-14-23/h3-6,18-19,23H,7-15H2,1-2H3
InChIKeyGBIPULBTABSEIZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.96
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-Piperazineethanol, 4-o-tolyl-
CID 96700
{1-[2-(Aminomethyl)phenyl]piperidin-4-yl}methanol
CID 2764546
Cambridge id 5261269
CID 2838100
2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol
CID 15925813
N-(4-{[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16188588
N-(4-{[3-(2-hydroxyethyl)-4-(2-phenylethyl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16189155
2-[1-(3,4-Difluorobenzyl)-4-(1-phenyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16192111
1-Benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410884
(E)-1-(but-2-enyl)-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410919
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70767794
N-(4-{[3-(2-hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16187341
N-(4-{[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16191203

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol (CID 23723426) is 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol is Cc1ccc(N2CCC(N3CCN(C)C(CCO)C3)CC2)cc1.
What is the InChIKey of 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is GBIPULBTABSEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-3-5-17(6-4-16)21-10-7-18(8-11-21)22-13-12-20(2)19(15-22)9-14-23/h3-6,18-19,23H,7-15H2,1-2H3.
What are the key properties of 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 317.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).