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

C22H38ClNO — CID 162665044

IUPAC[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C22H37NO.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)18-23-17-10-12-22(23)19-24;/h13-16,22,24H,2-12,17-19H2,1H3;1H/t22-;/m1./s1
InChIKeyUNCKZZYXIGTZNC-VZYDHVRKSA-N
MW368.01 g/mol
LogP5.75
Rot. Bonds12

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

[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162665044) has the molecular formula C22H38ClNO and a molecular weight of 368.01 g/mol. Its IUPAC name is [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162665044
Molecular FormulaC22H38ClNO
Molecular Weight368.01 g/mol
Exact Mass367.26
IUPAC Name[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl
InChIInChI=1S/C22H37NO.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)18-23-17-10-12-22(23)19-24;/h13-16,22,24H,2-12,17-19H2,1H3;1H/t22-;/m1./s1
InChIKeyUNCKZZYXIGTZNC-VZYDHVRKSA-N
XLogP5.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.01
LogP ≤ 55.75
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-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162665044) is [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl.
What is the InChIKey of [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is UNCKZZYXIGTZNC-VZYDHVRKSA-N. The full InChI is InChI=1S/C22H37NO.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)18-23-17-10-12-22(23)19-24;/h13-16,22,24H,2-12,17-19H2,1H3;1H/t22-;/m1./s1.
What are the key properties of [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 368.01 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162665044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).