[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride

C19H25ClN4O2 — CID 135186037

IUPAC[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCN(C(=O)c2cccc(Oc3cc(CN)ncn3)c2)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-19(2)6-8-23(9-7-19)18(24)14-4-3-5-16(10-14)25-17-11-15(12-20)21-13-22-17;/h3-5,10-11,13H,6-9,12,20H2,1-2H3;1H
InChIKeyARGZAHKGDUDPGC-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.41
Rot. Bonds4

About [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride

[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 135186037) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride
PubChem CID135186037
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCN(C(=O)c2cccc(Oc3cc(CN)ncn3)c2)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-19(2)6-8-23(9-7-19)18(24)14-4-3-5-16(10-14)25-17-11-15(12-20)21-13-22-17;/h3-5,10-11,13H,6-9,12,20H2,1-2H3;1H
InChIKeyARGZAHKGDUDPGC-UHFFFAOYSA-N
XLogP3.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride (CID 135186037) is [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride is CC1(C)CCN(C(=O)c2cccc(Oc3cc(CN)ncn3)c2)CC1.Cl.
What is the InChIKey of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is ARGZAHKGDUDPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-19(2)6-8-23(9-7-19)18(24)14-4-3-5-16(10-14)25-17-11-15(12-20)21-13-22-17;/h3-5,10-11,13H,6-9,12,20H2,1-2H3;1H.
What are the key properties of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride?
[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(4,4-dimethylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 135186037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).