N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C21H26N4O — CID 57446057

IUPACN-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O/c1-2-26-20-7-3-5-16(11-20)14-25-10-4-6-19(15-25)23-18-8-9-21-17(12-18)13-22-24-21/h3,5,7-9,11-13,19,23H,2,4,6,10,14-15H2,1H3,(H,22,24)
InChIKeySXUKHUQRLXBBJH-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.04
Rot. Bonds6

About N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446057) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID57446057
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O/c1-2-26-20-7-3-5-16(11-20)14-25-10-4-6-19(15-25)23-18-8-9-21-17(12-18)13-22-24-21/h3,5,7-9,11-13,19,23H,2,4,6,10,14-15H2,1H3,(H,22,24)
InChIKeySXUKHUQRLXBBJH-UHFFFAOYSA-N
XLogP4.04
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 57446057) is N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is CCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is SXUKHUQRLXBBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-26-20-7-3-5-16(11-20)14-25-10-4-6-19(15-25)23-18-8-9-21-17(12-18)13-22-24-21/h3,5,7-9,11-13,19,23H,2,4,6,10,14-15H2,1H3,(H,22,24).
What are the key properties of N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 350.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).