(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol

C21H24N2O2 — CID 164629277

IUPAC(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
SMILESCOc1cccc([C@H]2CCN(Cc3cccc4[nH]ccc34)C[C@@H]2O)c1
InChIInChI=1S/C21H24N2O2/c1-25-17-6-2-4-15(12-17)19-9-11-23(14-21(19)24)13-16-5-3-7-20-18(16)8-10-22-20/h2-8,10,12,19,21-22,24H,9,11,13-14H2,1H3/t19-,21+/m1/s1
InChIKeyDIIPJXNTKOCCOV-CTNGQTDRSA-N
MW336.44 g/mol
LogP3.53
Rot. Bonds4

About (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol

(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol (PubChem CID 164629277) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
PubChem CID164629277
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
SMILESCOc1cccc([C@H]2CCN(Cc3cccc4[nH]ccc34)C[C@@H]2O)c1
InChIInChI=1S/C21H24N2O2/c1-25-17-6-2-4-15(12-17)19-9-11-23(14-21(19)24)13-16-5-3-7-20-18(16)8-10-22-20/h2-8,10,12,19,21-22,24H,9,11,13-14H2,1H3/t19-,21+/m1/s1
InChIKeyDIIPJXNTKOCCOV-CTNGQTDRSA-N
XLogP3.53
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol (CID 164629277) is (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol is COc1cccc([C@H]2CCN(Cc3cccc4[nH]ccc34)C[C@@H]2O)c1.
What is the InChIKey of (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol?
The InChIKey is DIIPJXNTKOCCOV-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-17-6-2-4-15(12-17)19-9-11-23(14-21(19)24)13-16-5-3-7-20-18(16)8-10-22-20/h2-8,10,12,19,21-22,24H,9,11,13-14H2,1H3/t19-,21+/m1/s1.
What are the key properties of (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol?
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol has a molecular weight of 336.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 164629277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).