(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol

C18H20INO — CID 158186388

IUPAC(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)[C@H]1CCC(Cc2ccc(I)cc2)C1
InChIInChI=1S/C18H20INO/c19-17-7-4-13(5-8-17)10-14-3-6-15(11-14)18(21)16-2-1-9-20-12-16/h1-2,4-5,7-9,12,14-15,18,21H,3,6,10-11H2/t14?,15-,18-/m0/s1
InChIKeyKJRSCWJTRZVGSC-UFFKYAFASA-N
MW393.27 g/mol
LogP4.38
Rot. Bonds4

About (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol

(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol (PubChem CID 158186388) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol
PubChem CID158186388
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC Name(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)[C@H]1CCC(Cc2ccc(I)cc2)C1
InChIInChI=1S/C18H20INO/c19-17-7-4-13(5-8-17)10-14-3-6-15(11-14)18(21)16-2-1-9-20-12-16/h1-2,4-5,7-9,12,14-15,18,21H,3,6,10-11H2/t14?,15-,18-/m0/s1
InChIKeyKJRSCWJTRZVGSC-UFFKYAFASA-N
XLogP4.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[3-[[4-(methanidylamino)phenyl]methyl]cyclopentyl]-pyridin-3-ylmethanol;yttrium
CID 58125203
4-[[(3S)-3-[(S)-hydroxy-(6-isocyano-3-pyridinyl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 160853639
4-[[(3S)-3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)-2-phenylethyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)-2-phenylethyl]benzamide
CID 159902440
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
4-[[(1R,3S)-3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]cyclopentyl]methyl]-N-[(2-fluoro-3-pyridinyl)methyl]-N-methylbenzamide
CID 146810050
(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium
CID 161267110
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287

Frequently Asked Questions

What is the IUPAC name of (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol?
The IUPAC name of (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol (CID 158186388) is (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol.
What is the SMILES notation for (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol?
The canonical SMILES for (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol is O[C@H](c1cccnc1)[C@H]1CCC(Cc2ccc(I)cc2)C1.
What is the InChIKey of (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol?
The InChIKey is KJRSCWJTRZVGSC-UFFKYAFASA-N. The full InChI is InChI=1S/C18H20INO/c19-17-7-4-13(5-8-17)10-14-3-6-15(11-14)18(21)16-2-1-9-20-12-16/h1-2,4-5,7-9,12,14-15,18,21H,3,6,10-11H2/t14?,15-,18-/m0/s1.
What are the key properties of (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol?
(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol has a molecular weight of 393.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 158186388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).