(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol

C22H26N2O2 — CID 50982132

IUPAC(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@H]2O)c1
InChIInChI=1S/C22H26N2O2/c1-23-13-17(19-8-3-4-9-21(19)23)14-24-11-10-20(22(25)15-24)16-6-5-7-18(12-16)26-2/h3-9,12-13,20,22,25H,10-11,14-15H2,1-2H3/t20-,22+/m0/s1
InChIKeyDYFOLNCRRGFIKK-RBBKRZOGSA-N
MW350.46 g/mol
LogP3.54
Rot. Bonds4

About (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol

(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol (PubChem CID 50982132) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol
PubChem CID50982132
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@H]2O)c1
InChIInChI=1S/C22H26N2O2/c1-23-13-17(19-8-3-4-9-21(19)23)14-24-11-10-20(22(25)15-24)16-6-5-7-18(12-16)26-2/h3-9,12-13,20,22,25H,10-11,14-15H2,1-2H3/t20-,22+/m0/s1
InChIKeyDYFOLNCRRGFIKK-RBBKRZOGSA-N
XLogP3.54
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol (CID 50982132) is (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol is COc1cccc([C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@H]2O)c1.
What is the InChIKey of (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol?
The InChIKey is DYFOLNCRRGFIKK-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23-13-17(19-8-3-4-9-21(19)23)14-24-11-10-20(22(25)15-24)16-6-5-7-18(12-16)26-2/h3-9,12-13,20,22,25H,10-11,14-15H2,1-2H3/t20-,22+/m0/s1.
What are the key properties of (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol?
(3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol has a molecular weight of 350.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-methoxyphenyl)-1-[(1-methylindol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 50982132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).