(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol

C15H21N3O — CID 99640635

IUPAC(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C15H21N3O/c1-11(19)14-3-2-6-18(10-14)9-12-4-5-13-8-16-17-15(13)7-12/h4-5,7-8,11,14,19H,2-3,6,9-10H2,1H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyAMSQTAQDHPMZKX-RISCZKNCSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds3

About (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol

(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol (PubChem CID 99640635) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
PubChem CID99640635
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C15H21N3O/c1-11(19)14-3-2-6-18(10-14)9-12-4-5-13-8-16-17-15(13)7-12/h4-5,7-8,11,14,19H,2-3,6,9-10H2,1H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyAMSQTAQDHPMZKX-RISCZKNCSA-N
XLogP2.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
2-[(3R)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324949
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 136519416
4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
CID 126772127
(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
CID 97086160
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol (CID 99640635) is (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol is C[C@@H](O)[C@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1.
What is the InChIKey of (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol?
The InChIKey is AMSQTAQDHPMZKX-RISCZKNCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(19)14-3-2-6-18(10-14)9-12-4-5-13-8-16-17-15(13)7-12/h4-5,7-8,11,14,19H,2-3,6,9-10H2,1H3,(H,16,17)/t11-,14+/m1/s1.
What are the key properties of (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol?
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 99640635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).