1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol

C17H28ClN5O — CID 171837837

IUPAC1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol
SMILESCc1cc(N[C@@H]2CCCN(CCN3CCC(O)CC3)C2)nnc1Cl
InChIInChI=1S/C17H28ClN5O/c1-13-11-16(20-21-17(13)18)19-14-3-2-6-23(12-14)10-9-22-7-4-15(24)5-8-22/h11,14-15,24H,2-10,12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyFBJUHNUWUUCDPB-CQSZACIVSA-N
MW353.90 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol

1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol (PubChem CID 171837837) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol
PubChem CID171837837
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol
SMILESCc1cc(N[C@@H]2CCCN(CCN3CCC(O)CC3)C2)nnc1Cl
InChIInChI=1S/C17H28ClN5O/c1-13-11-16(20-21-17(13)18)19-14-3-2-6-23(12-14)10-9-22-7-4-15(24)5-8-22/h11,14-15,24H,2-10,12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyFBJUHNUWUUCDPB-CQSZACIVSA-N
XLogP1.77
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol (CID 171837837) is 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol is Cc1cc(N[C@@H]2CCCN(CCN3CCC(O)CC3)C2)nnc1Cl.
What is the InChIKey of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol?
The InChIKey is FBJUHNUWUUCDPB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28ClN5O/c1-13-11-16(20-21-17(13)18)19-14-3-2-6-23(12-14)10-9-22-7-4-15(24)5-8-22/h11,14-15,24H,2-10,12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol?
1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol has a molecular weight of 353.90 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 171837837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).