6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole

C18H25N3O — CID 162502612

IUPAC6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole
SMILESC[C@@H]1CNCCC1c1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C18H25N3O/c1-13-11-19-8-7-16(13)14-5-6-15-12-20-21(17(15)10-14)18-4-2-3-9-22-18/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3/t13-,16?,18?/m1/s1
InChIKeyIGSDICYNILSZGG-IMUUDWKMSA-N
MW299.42 g/mol
LogP3.45
Rot. Bonds2

About 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole

6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole (PubChem CID 162502612) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole
PubChem CID162502612
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole
SMILESC[C@@H]1CNCCC1c1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C18H25N3O/c1-13-11-19-8-7-16(13)14-5-6-15-12-20-21(17(15)10-14)18-4-2-3-9-22-18/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3/t13-,16?,18?/m1/s1
InChIKeyIGSDICYNILSZGG-IMUUDWKMSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
1-[(2S)-oxan-2-yl]indazole
CID 124562379
3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 175874414
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
3-methyl-4-naphthalen-2-ylpiperidine
CID 66277961
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
7-(3-methylpiperidin-4-yl)quinoline
CID 114502162
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole?
The IUPAC name of 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole (CID 162502612) is 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole is C[C@@H]1CNCCC1c1ccc2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole?
The InChIKey is IGSDICYNILSZGG-IMUUDWKMSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-11-19-8-7-16(13)14-5-6-15-12-20-21(17(15)10-14)18-4-2-3-9-22-18/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3/t13-,16?,18?/m1/s1.
What are the key properties of 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole?
6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole has a molecular weight of 299.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 162502612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).