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

C23H40ClNO — CID 162654890

IUPAC[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-9-10-12-21-14-16-22(17-15-21)19-24-18-11-13-23(24)20-25;/h14-17,23,25H,2-13,18-20H2,1H3;1H/t23-;/m1./s1
InChIKeyDSSSDUBQLHYAHS-GNAFDRTKSA-N
MW382.03 g/mol
LogP6.14
Rot. Bonds13

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

[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162654890) has the molecular formula C23H40ClNO and a molecular weight of 382.03 g/mol. Its IUPAC name is [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162654890
Molecular FormulaC23H40ClNO
Molecular Weight382.03 g/mol
Exact Mass381.28
IUPAC Name[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-9-10-12-21-14-16-22(17-15-21)19-24-18-11-13-23(24)20-25;/h14-17,23,25H,2-13,18-20H2,1H3;1H/t23-;/m1./s1
InChIKeyDSSSDUBQLHYAHS-GNAFDRTKSA-N
XLogP6.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 56.14
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-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162654890) is [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl.
What is the InChIKey of [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is DSSSDUBQLHYAHS-GNAFDRTKSA-N. The full InChI is InChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-9-10-12-21-14-16-22(17-15-21)19-24-18-11-13-23(24)20-25;/h14-17,23,25H,2-13,18-20H2,1H3;1H/t23-;/m1./s1.
What are the key properties of [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 382.03 g/mol, XLogP of 6.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).