2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

C14H21ClN4O — CID 171545217

IUPAC2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1
InChIInChI=1S/C14H21ClN4O/c15-14-12(10-3-4-10)8-13(17-18-14)16-11-2-1-5-19(9-11)6-7-20/h8,10-11,20H,1-7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyBTJBHLHHCOMSTA-LLVKDONJSA-N
MW296.80 g/mol
LogP1.88
Rot. Bonds5

About 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 171545217) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID171545217
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1
InChIInChI=1S/C14H21ClN4O/c15-14-12(10-3-4-10)8-13(17-18-14)16-11-2-1-5-19(9-11)6-7-20/h8,10-11,20H,1-7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyBTJBHLHHCOMSTA-LLVKDONJSA-N
XLogP1.88
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate
CID 168973467
2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 171837858
2-[(3R)-3-[[6-[2-(ethoxymethoxy)-4-ethynylphenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanol
CID 168973382
3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide
CID 171585992
5-chloro-3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171852585
N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 71496162
3-cyclopropyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97062915
2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-fluoropyridazin-3-yl]-5-fluoro-3-methylphenol
CID 170381735
1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine
CID 130877853
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
N-[2-[4-cyclopropyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(2,2,2-trifluoroethyl)phenyl]methanesulfonamide
CID 177370379
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (CID 171545217) is 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is OCCN1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1.
What is the InChIKey of 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is BTJBHLHHCOMSTA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-14-12(10-3-4-10)8-13(17-18-14)16-11-2-1-5-19(9-11)6-7-20/h8,10-11,20H,1-7,9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 296.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 171545217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).