(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol

C22H27N3O2 — CID 95885516

IUPAC(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
SMILESCOc1ccc2c(CN3CCC([C@@H](O)Cc4ccccc4)CC3)[nH]nc2c1
InChIInChI=1S/C22H27N3O2/c1-27-18-7-8-19-20(14-18)23-24-21(19)15-25-11-9-17(10-12-25)22(26)13-16-5-3-2-4-6-16/h2-8,14,17,22,26H,9-13,15H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyZLZBTHXENRMWLV-QFIPXVFZSA-N
MW365.48 g/mol
LogP3.39
Rot. Bonds6

About (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol

(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 95885516) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
PubChem CID95885516
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
SMILESCOc1ccc2c(CN3CCC([C@@H](O)Cc4ccccc4)CC3)[nH]nc2c1
InChIInChI=1S/C22H27N3O2/c1-27-18-7-8-19-20(14-18)23-24-21(19)15-25-11-9-17(10-12-25)22(26)13-16-5-3-2-4-6-16/h2-8,14,17,22,26H,9-13,15H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyZLZBTHXENRMWLV-QFIPXVFZSA-N
XLogP3.39
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol with MolForge

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Related Compounds

5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
CID 70716523
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
CID 99955881
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56910109
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95888868
(3R,4S)-3-hydroxy-1-[(5-methoxy-2H-indazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 163316039

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol (CID 95885516) is (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol is COc1ccc2c(CN3CCC([C@@H](O)Cc4ccccc4)CC3)[nH]nc2c1.
What is the InChIKey of (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is ZLZBTHXENRMWLV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-18-7-8-19-20(14-18)23-24-21(19)15-25-11-9-17(10-12-25)22(26)13-16-5-3-2-4-6-16/h2-8,14,17,22,26H,9-13,15H2,1H3,(H,23,24)/t22-/m0/s1.
What are the key properties of (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol?
(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 365.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 95885516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).