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

C18H28N2O — CID 23723706

IUPAC2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(CC2CC2)CC1CCO
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-17(15)13-20-10-9-19(12-16-6-7-16)14-18(20)8-11-21/h2-5,16,18,21H,6-14H2,1H3
InChIKeyCIXTWNNLMOWJGX-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.27
Rot. Bonds6

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

2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723706) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723706
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(CC2CC2)CC1CCO
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-17(15)13-20-10-9-19(12-16-6-7-16)14-18(20)8-11-21/h2-5,16,18,21H,6-14H2,1H3
InChIKeyCIXTWNNLMOWJGX-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723706) is 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccccc1CN1CCN(CC2CC2)CC1CCO.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is CIXTWNNLMOWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-4-2-3-5-17(15)13-20-10-9-19(12-16-6-7-16)14-18(20)8-11-21/h2-5,16,18,21H,6-14H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 288.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).