2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H26N4O — CID 80554278

IUPAC2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2NCC1CCCNC1
InChIInChI=1S/C15H26N4O/c20-8-7-19-15-5-1-4-14(13(15)11-18-19)17-10-12-3-2-6-16-9-12/h11-12,14,16-17,20H,1-10H2
InChIKeyNMYUWTMXOONNEL-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 80554278) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID80554278
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2NCC1CCCNC1
InChIInChI=1S/C15H26N4O/c20-8-7-19-15-5-1-4-14(13(15)11-18-19)17-10-12-3-2-6-16-9-12/h11-12,14,16-17,20H,1-10H2
InChIKeyNMYUWTMXOONNEL-UHFFFAOYSA-N
XLogP0.84
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
CID 63005680
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 75370275
(2R)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-2-carboxamide
CID 104912794
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 63139711
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493
2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 106936420
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 54907070
2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
CID 43697511
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 80554278) is 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is OCCn1ncc2c1CCCC2NCC1CCCNC1.
What is the InChIKey of 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is NMYUWTMXOONNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-8-7-19-15-5-1-4-14(13(15)11-18-19)17-10-12-3-2-6-16-9-12/h11-12,14,16-17,20H,1-10H2.
What are the key properties of 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 80554278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).