cyclohexyl-phenyl-pyrrolidin-2-ylmethanol

C17H25NO — CID 166041148

IUPACcyclohexyl-phenyl-pyrrolidin-2-ylmethanol
SMILESOC(c1ccccc1)(C1CCCCC1)C1CCCN1
InChIInChI=1S/C17H25NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,18-19H,2,5-7,10-13H2
InChIKeyQRJYWVYFZONWTE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.21
Rot. Bonds3

About cyclohexyl-phenyl-pyrrolidin-2-ylmethanol

cyclohexyl-phenyl-pyrrolidin-2-ylmethanol (PubChem CID 166041148) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is cyclohexyl-phenyl-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Namecyclohexyl-phenyl-pyrrolidin-2-ylmethanol
PubChem CID166041148
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Namecyclohexyl-phenyl-pyrrolidin-2-ylmethanol
SMILESOC(c1ccccc1)(C1CCCCC1)C1CCCN1
InChIInChI=1S/C17H25NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,18-19H,2,5-7,10-13H2
InChIKeyQRJYWVYFZONWTE-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
cyclohexyl-phenyl-piperidin-3-ylmethanol
CID 23966017
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
azepan-2-yl(diphenyl)methanamine
CID 69019093
2-[difluoro(phenyl)methyl]azepane
CID 105483060
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310
2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine
CID 163995934

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-phenyl-pyrrolidin-2-ylmethanol?
The IUPAC name of cyclohexyl-phenyl-pyrrolidin-2-ylmethanol (CID 166041148) is cyclohexyl-phenyl-pyrrolidin-2-ylmethanol.
What is the SMILES notation for cyclohexyl-phenyl-pyrrolidin-2-ylmethanol?
The canonical SMILES for cyclohexyl-phenyl-pyrrolidin-2-ylmethanol is OC(c1ccccc1)(C1CCCCC1)C1CCCN1.
What is the InChIKey of cyclohexyl-phenyl-pyrrolidin-2-ylmethanol?
The InChIKey is QRJYWVYFZONWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,18-19H,2,5-7,10-13H2.
What are the key properties of cyclohexyl-phenyl-pyrrolidin-2-ylmethanol?
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol has a molecular weight of 259.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-phenyl-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 166041148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).