[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride

C23H28ClNO — CID 162647377

IUPAC[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1ccc(C#Cc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C23H27NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,16-18H2,1H3;1H/t23-;/m1./s1
InChIKeyVTONQAJBLQSMPC-GNAFDRTKSA-N
MW369.94 g/mol
LogP4.42
Rot. Bonds5

About [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride

[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162647377) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162647377
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC Name[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1ccc(C#Cc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C23H27NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,16-18H2,1H3;1H/t23-;/m1./s1
InChIKeyVTONQAJBLQSMPC-GNAFDRTKSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162647377) is [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCc1ccc(C#Cc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl.
What is the InChIKey of [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is VTONQAJBLQSMPC-GNAFDRTKSA-N. The full InChI is InChI=1S/C23H27NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,16-18H2,1H3;1H/t23-;/m1./s1.
What are the key properties of [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162647377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).