2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

C21H26N4O2 — CID 25010081

IUPAC2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24)/t19-/m0/s1
InChIKeyPDNRANQFZBPQEF-IBGZPJMESA-N
MW366.47 g/mol
LogP3.01
Rot. Bonds7

About 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 25010081) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID25010081
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24)/t19-/m0/s1
InChIKeyPDNRANQFZBPQEF-IBGZPJMESA-N
XLogP3.01
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (CID 25010081) is 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is PDNRANQFZBPQEF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 366.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 25010081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).