(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol

C19H20N2O — CID 54186017

IUPAC(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol
SMILESO[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c22-17-10-11-20-12-15(17)18-14-8-4-5-9-16(14)21-19(18)13-6-2-1-3-7-13/h1-9,15,17,20-22H,10-12H2/t15-,17-/m1/s1
InChIKeyPFDVSVHNCJWHMX-NVXWUHKLSA-N
MW292.38 g/mol
LogP3.27
Rot. Bonds2

About (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol

(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol (PubChem CID 54186017) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol
PubChem CID54186017
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol
SMILESO[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c22-17-10-11-20-12-15(17)18-14-8-4-5-9-16(14)21-19(18)13-6-2-1-3-7-13/h1-9,15,17,20-22H,10-12H2/t15-,17-/m1/s1
InChIKeyPFDVSVHNCJWHMX-NVXWUHKLSA-N
XLogP3.27
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Tryptophol
CID 10685
L-(-)-Tryptophanol
CID 6951149
2-Phenyl-3-piperidin-3-yl-1H-indole
CID 9795587
Tryptophanol
CID 10684
Yohimban-17-ol, (17beta)-
CID 120670
Fumigaclavine B
CID 21589072
(-)-Fumigaclavine B
CID 12309937
2-Phenyl-3-(4-piperidinyl)indole
CID 9882067
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 51346823
(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323657
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol (CID 54186017) is (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol is O[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol?
The InChIKey is PFDVSVHNCJWHMX-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H20N2O/c22-17-10-11-20-12-15(17)18-14-8-4-5-9-16(14)21-19(18)13-6-2-1-3-7-13/h1-9,15,17,20-22H,10-12H2/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol?
(3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol has a molecular weight of 292.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-phenyl-1H-indol-3-yl)piperidin-4-ol is sourced from PubChem (CID 54186017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).