(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride

C12H18ClN3O — CID 134818199

IUPAC(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
SMILESCN1CCC(C(=O)c2cccc(N)n2)CC1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3,(H2,13,14);1H
InChIKeyUCUZTACGIDUJPN-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.61
Rot. Bonds2

About (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride

(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 134818199) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
PubChem CID134818199
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
SMILESCN1CCC(C(=O)c2cccc(N)n2)CC1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3,(H2,13,14);1H
InChIKeyUCUZTACGIDUJPN-UHFFFAOYSA-N
XLogP1.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride (CID 134818199) is (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride is CN1CCC(C(=O)c2cccc(N)n2)CC1.Cl.
What is the InChIKey of (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is UCUZTACGIDUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3,(H2,13,14);1H.
What are the key properties of (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride?
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 134818199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).