[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride

C21H36ClNO — CID 162649116

IUPAC[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-7-8-10-19-12-14-20(15-13-19)17-22-16-9-11-21(22)18-23;/h12-15,21,23H,2-11,16-18H2,1H3;1H/t21-;/m1./s1
InChIKeySDDRZEJOUFEQBN-ZMBIFBSDSA-N
MW353.98 g/mol
LogP5.36
Rot. Bonds11

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

[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162649116) has the molecular formula C21H36ClNO and a molecular weight of 353.98 g/mol. Its IUPAC name is [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162649116
Molecular FormulaC21H36ClNO
Molecular Weight353.98 g/mol
Exact Mass353.25
IUPAC Name[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-7-8-10-19-12-14-20(15-13-19)17-22-16-9-11-21(22)18-23;/h12-15,21,23H,2-11,16-18H2,1H3;1H/t21-;/m1./s1
InChIKeySDDRZEJOUFEQBN-ZMBIFBSDSA-N
XLogP5.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.98
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162649116) is [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl.
What is the InChIKey of [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is SDDRZEJOUFEQBN-ZMBIFBSDSA-N. The full InChI is InChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-7-8-10-19-12-14-20(15-13-19)17-22-16-9-11-21(22)18-23;/h12-15,21,23H,2-11,16-18H2,1H3;1H/t21-;/m1./s1.
What are the key properties of [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 353.98 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162649116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).