(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C12H17ClN4O2 — CID 62233957

IUPAC(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNNc1ncc(C(=O)N2CCC(CO)CC2)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c13-10-5-9(6-15-11(10)16-14)12(19)17-3-1-8(7-18)2-4-17/h5-6,8,18H,1-4,7,14H2,(H,15,16)
InChIKeyJDLHOIYXVDJFPN-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.87
Rot. Bonds3

About (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62233957) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62233957
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNNc1ncc(C(=O)N2CCC(CO)CC2)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c13-10-5-9(6-15-11(10)16-14)12(19)17-3-1-8(7-18)2-4-17/h5-6,8,18H,1-4,7,14H2,(H,15,16)
InChIKeyJDLHOIYXVDJFPN-UHFFFAOYSA-N
XLogP0.87
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789360
[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 62233957) is (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is NNc1ncc(C(=O)N2CCC(CO)CC2)cc1Cl.
What is the InChIKey of (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is JDLHOIYXVDJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-10-5-9(6-15-11(10)16-14)12(19)17-3-1-8(7-18)2-4-17/h5-6,8,18H,1-4,7,14H2,(H,15,16).
What are the key properties of (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 284.75 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62233957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).